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siosi8.nw
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start siosi8
Title "siosi8"
#scratch_dir /scratch
#permanent_dir /scratch
memory stack 3850 mb heap 180 mb global 454 mb noverify
echo
charge 0
geometry noautosym noautoz units angstrom
O 4.78800 -3.99500 4.48600
Si 3.23700 -3.83600 4.19900
Si 6.30100 -3.91100 3.98200
O 7.24200 -4.17000 5.23200
O 2.46900 -3.91700 5.59900
O 2.96300 -2.42900 3.51600
O 6.53800 -5.02100 2.86600
O 6.56500 -2.47700 3.34700
O 2.69700 -4.99300 3.24000
Si 2.48800 -6.27900 2.32500
Si 2.54500 -1.44000 2.34200
Si 7.30300 -6.28900 2.25100
Si 1.14100 -4.48400 6.29100
Si 8.62700 -4.43200 5.96900
Si 7.31200 -1.46200 2.37400
O 3.01200 -7.57800 3.06000
O 3.34600 -1.77900 1.00700
O 3.30600 -6.13300 0.96900
O 6.74500 -7.63500 2.90000
O 4.91800 -8.52300 4.56300
O 1.27900 -6.05000 6.55800
O 7.25200 -7.91800 5.46400
O 6.83000 -1.65300 0.87300
O 2.89900 0.04600 2.80500
O 2.59800 -8.08700 5.59600
O 8.53700 -3.80800 7.43800
Si 3.35900 -8.55400 4.26800
Si 6.47100 -8.52300 4.20000
O 6.96200 0.02600 2.83400
O 8.93000 -5.99600 6.06200
O -0.11400 -4.22000 5.35800
O 8.85600 -6.14100 2.55700
O 7.03100 -6.33000 0.67900
O 0.94400 -3.73400 7.69200
O 9.81500 -3.74400 5.16400
O 8.87900 -1.71100 2.45200
O 0.98800 -1.57000 2.04400
O 0.94100 -6.41200 1.99200
O 3.10200 -3.94100 -0.42200
O 6.93600 -3.94300 -0.36100
Si 3.50200 -5.49300 -0.48100
Si 3.51000 -2.39300 -0.46000
Si 1.20700 -7.60800 6.23200
Si 8.62900 -7.56000 6.19300
Si 6.56400 -2.38700 -0.51700
Si 6.58900 -5.49100 -0.61600
O 5.03000 -5.67400 -0.90400
O 5.03200 -2.00000 0.00000
Si -1.15800 -3.93300 4.18800
O -0.92300 -2.47300 3.60000
O 4.94300 1.53000 2.12200
Si 3.39000 1.53000 2.48400
O -0.98300 -4.99300 3.00500
Si 6.50200 1.50000 2.41600
O 0.02100 -7.88800 5.20300
Si 9.22100 -3.74600 8.87100
Si -0.64000 -6.30800 2.18700
Si 11.12600 -3.76800 4.24300
O 8.51500 -7.97800 7.73200
O 2.89900 -10.02700 3.85000
Si -0.58100 -1.54400 2.11200
Si 10.44500 -6.28100 2.51500
O 6.96200 -10.00700 3.87900
Si 0.42700 -3.77200 9.19900
O 11.09200 -5.03700 3.27700
Si 10.44400 -1.42800 2.38500
O 8.65800 -2.45500 9.61700
O 0.94900 -8.42100 7.57800
O 3.11700 2.41900 3.78500
O 11.19000 -2.42500 3.37800
O 1.07400 -5.01700 9.96100
O 8.87800 -5.06100 9.68900
O 9.84500 -8.35200 5.52800
O 2.57400 -1.63700 -1.49100
O 2.58000 -6.23300 -1.54100
O 6.85000 2.47500 3.62400
O 0.87200 -2.41500 9.90300
O 7.46800 -1.71900 -1.64300
O -1.20300 -7.59800 2.93300
O 7.38100 -6.02600 -1.89400
O 10.89000 -7.63900 3.21900
O -1.05600 -0.06400 2.72800
O 2.61000 2.13500 1.22100
O -1.34600 -2.07500 1.04800
O 7.26300 1.96600 1.08800
O 10.80200 -3.64100 8.67600
O 10.74900 0.07800 2.81300
O -2.63600 -4.02700 4.79000
Si -1.15300 -8.45700 4.27600
O 10.96100 -6.32000 1.00800
O -1.32500 -6.24500 0.75400
O 10.96700 -1.63300 0.89400
O 1.17200 -7.62900 10.06200
O -1.16200 -3.91300 9.24100
O -0.93100 -4.05800 -0.62200
O 7.22500 -6.02600 11.47400
O 12.44200 -3.82000 5.14300
Si 9.28000 -8.50900 8.79600
Si 11.02000 -8.61400 4.47300
O -0.01600 -1.70100 -1.15600
Si 1.10900 -6.28500 10.92700
Si 8.70300 -6.12100 10.87200
Si 0.42700 -8.62600 9.06900
Si 2.55000 -11.51500 4.31000
Si 7.31600 -11.49300 4.34200
Si 8.70800 -1.59600 10.96000
Si -1.23300 -2.49300 -0.49100
O 9.90300 -5.83300 -1.32600
O 11.29700 -4.00300 -0.12600
O 8.93900 -7.58000 10.28400
O 7.31200 -1.71900 11.72500
O 3.03100 -11.70600 5.81100
O 2.42400 -6.23300 11.82700
Si 1.15900 -1.44000 -2.21100
O -0.04600 -6.31000 -1.52000
Si 2.55800 3.76400 4.43300
Si 1.00300 -1.44000 11.15700
Si 1.26500 -6.28500 -2.44100
O 2.83000 3.72400 6.00500
O 2.41800 -1.63700 11.87800
O 6.51600 -11.83300 5.67700
Si -1.23400 -5.62200 -0.71500
O 0.01600 1.70100 1.15600
O 4.87400 -5.67400 12.46400
O 10.03800 -2.16600 -1.48100
Si 11.15900 -5.57000 -0.39300
Si 7.37400 3.77400 4.35900
O 6.55500 3.92100 5.71500
Si 11.22500 -2.44500 -0.45200
O -0.88800 -9.97500 3.87100
O -2.98600 -3.72400 7.36300
O 0.89900 0.06400 10.64000
O 8.97300 -0.07800 10.55500
O -3.08200 -6.11100 6.32300
Si 8.85900 -6.12100 -2.49600
Si 8.86400 -1.59600 -2.40800
Si -1.15900 1.44000 2.21100
Si -3.42900 -4.56200 6.06800
Si 1.23300 2.49300 0.49100
O 9.84100 2.16600 1.48100
Si 8.65400 2.44500 0.45200
O -2.55000 -8.33400 5.04100
Si 6.43300 -5.49100 12.75200
Si 11.01500 1.59600 2.40800
O 12.96300 -6.11300 6.26200
O 10.84900 -8.48300 8.72800
Si 3.34600 -5.49300 12.88700
O 8.87300 -11.62400 4.64000
O 0.98200 -11.76500 4.23200
O 2.94600 -3.94100 12.94600
Si 6.40800 -2.38700 12.85100
O 10.91700 -10.11800 3.95600
O 8.92000 3.64100 4.69200
Si 3.35400 -2.39300 12.90800
O -1.13900 -8.34200 9.13600
O -1.02900 2.41500 3.46500
O 1.23100 -5.01700 -3.40800
Si -2.71500 -3.76400 8.93500
O 8.80600 -9.98900 9.41200
O 3.29700 -12.53100 3.33700
O 6.78000 -3.94300 13.00700
Si 13.36400 -4.56000 6.20300
O 1.00500 3.91300 4.12700
O 8.91200 1.63300 -0.89400
Si 12.34900 -3.77400 9.00900
O 6.89900 -12.48200 3.16800
O 4.82900 -12.26700 7.61600
O 12.43500 -8.41700 5.19400
O 7.28700 -11.69000 8.17500
O 0.73200 -10.13200 9.49700
O 1.34600 2.07500 -1.04800
O 4.83100 4.37900 7.58800
O 1.02900 -2.41500 -3.46500
O 13.16800 -3.92100 7.65300
Si 3.29700 -12.44000 7.20100
Si 6.35100 -12.44600 7.14400
O 2.39300 -11.77300 8.32700
O 7.28100 3.82000 8.22500
O 11.06500 2.45500 3.75100
O 1.05600 0.06400 -2.72800
Si 6.35900 4.56000 7.16500
Si 3.27200 4.56200 7.30000
O 9.88200 -2.16600 11.88700
O 3.32300 5.03300 3.81800
Si -3.45400 -7.66700 6.16700
O -0.20200 -6.31000 11.84800
Si -0.58300 -11.48100 4.29900
O 9.74700 -5.83300 12.04200
O 8.53300 2.42500 9.99000
O 9.03400 -5.06100 -3.67900
O 1.32900 -7.62900 -3.30600
O 0.76600 2.47300 9.76800
O 8.81400 -2.45500 -3.75100
O 2.48000 4.02700 8.57800
O 9.13000 -0.07800 -2.81300
O 9.09500 -7.58000 -3.08400
O 7.16400 5.06100 3.44400
Si -0.58400 3.77200 4.17000
O -0.17300 -1.70100 12.21200
Si 10.44300 -11.59800 4.57200
Si 13.37100 -7.66100 6.22400
O -2.61000 -2.13500 -1.22100
Si 8.70200 -11.49300 8.89500
O 12.55900 -5.06100 9.92400
Si 9.27800 1.42800 10.98300
Si 0.58100 1.54400 -2.11200
O -3.18800 -8.40100 7.55700
Si 10.50100 3.74600 4.49700
Si 0.58400 -3.77200 -4.17000
O -3.27300 -2.41900 9.58400
O -2.61900 -5.88300 -1.45200
Si 0.99700 -11.65000 9.09200
O 0.93100 4.05800 0.62200
O -2.57400 1.63700 1.49100
O 12.48700 -6.13700 -1.08500
O -3.47900 -5.03300 9.55000
O 12.87300 -2.47500 9.74400
Si 0.42500 1.54400 11.25600
O -1.10500 -11.68600 5.79000
O -1.10000 3.73400 5.67600
Si 8.59600 3.76800 9.12500
O 12.61600 -1.96600 -1.08800
O 9.87800 -11.75500 7.84000
O 8.58200 4.00300 0.12600
O -4.98800 -4.37900 5.78000
Si -2.70600 -8.59200 9.05800
Si 9.43500 1.42800 -2.38500
O 12.41100 1.71900 1.64300
Si 1.00200 3.93300 9.18000
O 13.20700 -8.27400 7.69100
O 9.90700 3.74400 8.20400
Si 12.40600 -8.61400 9.02600
O 6.87500 -6.33000 14.04700
Si 9.37800 -3.74600 -4.49700
O -1.08700 -4.05800 12.74600
O -0.04200 4.22000 8.01000
O 14.89100 -4.37900 5.78000
O 11.18600 3.80800 5.93000
Si 3.56100 -13.96400 2.70200
O 6.67400 -1.65300 14.24100
O 3.15000 -6.13300 14.33700
O 3.18900 -1.77900 14.37500
Si 6.62400 -13.89000 2.48500
O -0.17700 -12.21900 8.16500
O 5.07300 6.05800 2.19800
O 5.07300 -14.04900 2.19800
O -0.98800 1.57000 -2.04400
Si 3.56100 6.14300 2.70200
Si -1.39000 -5.62200 12.65300
O -1.00500 -3.91300 -4.12700
O 11.20700 -12.12900 5.63600
O 2.92500 -13.99600 7.04500
O 12.82400 -7.62500 10.20000
O 10.84400 1.71100 10.91600
O 10.78400 -12.52700 3.08400
O 6.75900 -13.99400 7.10600
O -1.32900 -12.47800 3.30600
Si -1.38900 -2.49300 12.87700
O 1.19000 2.07500 12.32000
O 8.75600 1.63300 12.47400
O -3.45300 -7.57600 10.03100
O 2.61900 5.88300 1.45200
Si 6.62400 6.21700 2.48500
O -4.98500 -7.84000 5.75200
O 2.92500 6.11100 7.04500
Si 11.06900 -2.44500 12.91600
O -1.14400 1.57000 11.32400
Si 11.00200 -5.57000 12.97500
O -3.05600 -0.04600 10.56300
Si 13.09800 -6.21700 10.88300
Si -3.71700 -6.14300 10.66600
Si -1.29700 4.48400 7.07700
O 12.76000 -0.02600 10.53400
O -2.77500 -5.88300 11.91600
Si 0.58300 -8.62600 -4.29900
Si -3.54600 -1.53000 10.88400
O 1.10000 -3.73400 -5.67600
O 11.14000 -4.00300 13.24200
Si -1.36400 -12.49900 7.13600
O 7.39200 -13.97000 1.08500
O 14.89400 -7.84000 5.75200
O 2.61900 -14.22400 1.45200
O -1.23100 5.01700 3.40800
Si 13.22100 -1.50000 10.95200
O -2.76600 -2.13500 12.14800
Si 11.09500 4.43200 7.39900
O 11.00000 1.71100 -2.45200
Si 1.23400 5.62200 0.71500
O 10.84500 5.06100 3.67900
Si 11.09400 -12.54700 7.17500
O 7.39200 6.13700 1.08500
Si -3.39000 -1.53000 -2.48400
O 0.92300 2.47300 -3.60000
O 12.33000 -6.13700 12.28300
O 10.95900 -3.64100 -4.69200
O 0.88800 -10.13200 -3.87100
Si 8.72000 5.57000 0.39300
O 12.46000 -1.96600 12.28000
O 8.69300 -3.80800 -5.93000
O -3.05500 -10.08000 9.51800
Si 9.43600 -8.50900 -4.57200
O 8.96200 -9.98900 -3.95600
Si 13.25500 -6.21700 -2.48500
O 3.32300 -15.07400 3.81800
O 12.76100 -10.10000 9.48900
Si -3.51000 2.39300 0.46000
Si -3.56100 -6.14300 -2.70200
O 12.71500 -5.06100 -3.44400
O 0.04600 -13.79700 1.52000
Si 13.37700 -1.50000 -2.41600
O -2.89900 -0.04600 -2.80500
O -0.98200 -8.34200 -4.23200
O -2.62500 3.91700 7.77000
Si -2.70100 1.44000 11.02600
O 7.16400 -15.04600 3.44400
O 13.04900 1.65300 -0.87300
Si 13.31500 2.38700 0.51700
O -3.34600 1.77900 -1.00700
Si -2.54500 1.44000 -2.34200
Si 12.41100 1.46200 10.99400
Si -6.51500 -4.56000 6.20300
O -2.75500 -12.02000 7.77200
O -3.11900 2.42900 9.85200
O -3.11700 -2.41900 -3.78500
O 8.67200 -7.97800 -5.63600
O 9.97600 5.83300 1.32600
Si -2.55800 -3.76400 -4.43300
Si 7.14700 -6.28900 15.61900
O 12.91700 -0.02600 -2.83400
O -3.32300 -5.03300 -3.81800
O 13.02900 -2.47500 -3.62400
O 1.32500 -13.86200 -0.75400
Si 2.33100 -6.27900 15.69300
Si 1.23400 -14.48500 0.71500
O -1.48100 -6.24500 14.12200
Si 12.56700 1.46200 -2.37400
Si -1.26500 -13.82200 2.44100
O 10.81000 -1.63300 14.26200
O 3.29700 7.57600 3.33700
O 0.04600 6.31000 1.52000
Si 12.50500 -3.77400 -4.35900
O 12.47100 -12.18900 7.90500
Si 2.38900 -1.44000 15.71000
Si 7.15500 -1.46200 15.74200
O 1.10500 -8.42100 -5.79000
Si 16.45000 -4.56200 6.06800
O 12.98000 -7.62500 -3.16800
O 12.48000 4.17000 8.13600
O -3.29700 -7.57600 -3.33700
O 10.80500 -6.32000 14.37600
O 0.78500 -6.41200 15.36000
O 7.10700 1.96600 14.45600
O 1.20300 -12.50900 -2.93300
O 0.83200 -1.57000 15.41200
O 6.38200 -5.02100 16.23400
O -1.50200 -2.07500 14.41600
O 11.00600 -8.48300 -4.64000
Si 8.49800 2.44500 13.82000
O 9.97600 -14.27400 1.32600
O 13.15800 2.47700 10.02100
Si 11.02000 -13.98600 2.49600
O 1.43500 -6.05000 -6.81000
Si 6.35900 -15.54700 7.16500
O 8.91800 -13.78700 -1.00800
Si 8.72000 -14.53700 0.39300
Si 3.27200 -15.54500 7.30000
Si 1.07600 2.49300 13.85900
Si -6.50800 -7.66100 6.22400
O 1.32500 6.24500 -0.75400
O -6.91600 -6.11300 6.26200
O 2.45300 2.13500 14.58900
Si 11.02000 6.12100 2.49600
Si 3.29700 7.66700 7.20100
Si 1.29700 -4.48400 -7.07700
O 14.64900 -6.05800 11.17000
Si -1.26500 6.28500 2.44100
O 4.83100 -15.72800 7.58800
Si -3.51600 -11.55300 9.10000
Si 1.15300 -11.65000 -4.27600
O 8.98900 -12.46800 -3.21900
O 8.72300 -1.71100 15.82000
Si -3.39300 3.83600 9.16900
O 8.70000 -6.14100 15.92500
Si 13.25100 -11.58400 9.16800
Si 1.15800 3.93300 -4.18800
O 0.98300 4.99300 -3.00500
O 4.78700 1.53000 15.49000
Si 16.42500 -7.66700 6.16700
O 16.79700 -6.11100 6.32300
Si -2.55000 -8.59200 -4.31000
O 2.54100 -4.99300 16.60900
Si 8.85900 -11.49300 -4.47300
O 6.55500 -16.18600 5.71500
O 6.40800 -2.47700 16.71500
O 16.89300 -3.72400 7.36300
O 2.74300 0.04600 16.17300
Si -0.73800 -1.54400 15.48000
Si 8.78400 -4.43200 -7.39900
Si 2.55800 -16.34300 4.43300
O 6.80600 0.02600 16.20200
Si 0.64000 -13.79900 -2.18700
O 3.03100 8.40100 5.81100
Si 7.37400 -16.33300 4.35900
Si -0.79600 -6.30800 15.55500
O 2.83000 -16.38300 6.00500
Si 12.56300 -8.61400 -4.34200
Si 1.36400 -7.60800 -7.13600
O 2.80600 -2.42900 16.88400
Si 6.34600 1.50000 15.78400
Si 13.42200 3.91100 9.38600
O 9.08700 -5.99600 -7.30600
O 16.40000 -5.03300 9.55000
Si 3.23400 1.53000 15.85200
Si 2.55000 8.59200 4.31000
Si 10.28800 -1.42800 15.75300
Si 8.78500 -7.56000 -7.17500
Si 10.28900 -6.28100 15.88300
Si 9.43400 -13.82600 -2.51500
Si 6.14400 -3.91100 17.35000
Si 0.64000 6.30800 -2.18700
Si 16.16200 -6.14300 10.66600
Si 17.16400 -3.76400 8.93500
H 2.97352 -4.15432 15.98740
H 1.94971 -2.52862 17.61460
H 14.73720 -11.57670 8.90123
H 12.95590 -12.47790 10.34860
H 17.09390 -5.87265 11.82300
H 16.43190 -7.52233 10.11400
H 14.86620 3.97832 8.95040
H 13.16380 4.96354 10.43750
H 2.81257 10.00820 3.85672
H -0.85782 6.40972 -2.02487
H 1.14853 7.51697 -2.93526
H 0.13711 4.21221 -5.26500
H -3.02700 -8.35981 -5.72374
H 3.03402 -17.59990 3.74468
H 17.30800 -8.23430 5.08136
H 0.22412 -7.84866 -8.09665
H 0.06344 -12.11930 -5.21022
H -4.87853 3.97463 8.93645
H 13.27550 2.41831 -3.30332
H 6.84077 -17.55140 3.64395
H 9.91842 -3.78055 -8.15320
H 9.89846 -8.34289 -7.82876
H 7.48095 -7.85938 -7.87494
H 8.55839 -16.01500 0.12917
H 9.98426 -11.77070 -5.44087
H 10.98320 -2.40690 16.66870
H 10.58850 -0.01801 16.20210
H 10.67720 -7.56232 16.58130
H 10.91470 -5.10802 16.59910
H 4.72266 -3.99879 17.85220
H 7.09833 -4.13857 18.49790
H -1.20362 -2.34782 16.67040
H -1.21220 -0.11719 15.61950
H -1.11929 -5.04886 16.32320
H -1.31842 -7.50659 16.31040
H 18.64900 -3.87056 9.18721
H -6.70037 -3.95567 7.57432
H -6.66293 -8.24011 7.60990
H -7.40037 -8.38176 5.24202
H -7.39179 -3.85628 5.19497
H 16.63548 -2.49007 9.54971
H 14.86058 -1.52855 -2.13622
H 14.70643 2.03551 0.04744
H 12.96555 3.84868 0.37046
H 12.41598 6.03127 1.92741
H 1.06063 8.35454 4.23591
H 10.79596 7.50604 3.05419
H -4.91320 2.03068 0.03591
H -4.86058 -1.53000 -2.14121
H 16.67694 -8.36221 7.48355
H -3.18583 -12.47901 10.24612
H -4.99956 -11.58250 8.82023
H -5.01637 -1.53000 11.22769
H -2.88321 4.93030 10.07603
H 8.90670 6.27719 -0.92803
H -5.14758 -6.06263 11.14254
H -2.88017 -9.99973 -3.87482
H 6.61876 -7.56321 16.23338
H 12.41598 -14.07573 1.92741
H 10.85464 -14.98761 3.61383
H 8.84495 -16.45954 4.67584
H -1.23281 -15.02242 3.35646
H 1.08301 -16.20148 4.14237
H 2.52261 -16.05122 8.50924
H 12.89788 -10.01974 -3.90401
H -2.51043 6.23575 1.58861
H -1.42768 5.96693 6.82416
H -1.33452 7.54670 3.26766
H -2.51043 -13.87125 1.58861
H -0.85546 -13.70063 -2.00255
H 7.52382 -11.67889 -5.15333
H 14.70441 -1.52855 11.23270
H -3.12527 3.85272 0.42417
H 10.80829 5.91192 7.31100
H 7.23579 -16.25072 8.17303
H 10.80868 -14.02462 7.29877
H -1.43129 -13.97552 6.82705
H 2.43880 8.30020 8.26995
H -3.46010 1.76127 12.29117
H 14.73231 -6.06555 -2.21164
H 17.20010 -4.05594 4.85914
H 2.47349 -11.76626 -4.99910
H -0.07427 1.74381 14.48805
H 0.79176 3.97084 13.98270
H 2.83120 -7.51901 16.39462
H 1.04434 -12.46322 10.36343
H -2.94173 2.37868 -3.45627
H -2.81537 -3.72615 -5.92042
H 8.82611 -12.41672 10.08304
H 13.34521 -8.24315 -5.57922
H 4.74589 7.83061 7.59349
H 6.73538 6.02129 7.10948
H 6.88535 7.55509 3.13409
H 0.97857 -15.04984 -2.96216
H 7.46919 -4.18328 -8.09865
H 2.54900 -3.94945 -7.73034
H 10.93287 -14.00845 -2.52924
H 8.77993 -14.97696 -3.24135
H 13.28930 -3.88254 -5.64476
H 2.55403 4.02179 -4.75661
H 8.42977 3.92148 13.51106
H 8.62912 4.96875 10.03999
H 9.62096 2.18083 14.79431
H -4.99148 -6.06258 -2.22517
H 2.67450 -8.05928 -7.73519
H 0.83664 4.93461 10.29783
H 12.86932 1.64362 12.42126
H 0.08789 -4.24609 -7.94967
H 8.72772 2.37325 -3.32646
H 0.95653 -15.96877 0.67569
O 4.79531 -2.23995 12.48454
end
basis "ao basis" spherical print
H S
50.99917800 0.00966100
7.48321800 0.07372900
1.77746800 0.29585800
0.51932900 0.71590500
H S
0.15411000 1.00000000
H P
0.75000000 1.00000000
O S
10814.40200000 0.00078100
1623.75320000 0.00601000
370.18274000 0.03052200
104.97475000 0.11400900
33.98442200 0.30195700
11.98431200 0.45711100
4.38597000 0.24324800
O S
10.63003400 -0.07876500
0.93985300 0.57063000
O S
0.27662100 1.00000000
O P
61.54421800 0.00662400
14.27619400 0.04646400
4.33176800 0.17442300
1.47660400 0.36661100
0.49598600 0.43693600
O P
0.15448400 1.00000000
O D
0.80000000 1.00000000
Si S
42393.92700000 -0.00058900
6264.11290000 -0.00464800
1407.85520000 -0.02424700
392.20396000 -0.09567900
124.62688000 -0.27481700
43.36724800 -0.46402400
15.71023700 -0.28471200
Si S
35.22356900 0.09008500
3.55172400 -0.57645300
1.25288200 -0.50029700
Si S
1.94520500 -0.15076400
0.23685500 0.67463300
Si S
0.08592400 1.00000000
Si P
368.52147000 0.00314500
83.65581300 0.02624500
25.65768500 0.11962800
8.99255600 0.32097000
3.24806900 0.47502400
1.13807300 0.27740700
Si P
0.52840900 0.22910900
0.18313400 0.54832600
Si P
0.06255500 1.00000000
Si D
0.45000000 1.00000000
END
basis "cd basis" spherical print
H S
9.30813000 0.03446600
2.30671800 0.12253400
H S
0.75201200 0.18250000
H S
0.27397800 0.02215100
H P
2.03270400 0.02951400
H P
0.79025200 0.03275600
H D
2.01954800 1.00000000
O S
957.84325300 0.56249600
281.96742500 1.49109000
90.19983200 3.86547700
O S
31.13829900 3.60577700
O S
11.49373200 0.23005900
O S
4.48404900 -0.05015800
O S
1.82350400 1.05070500
O S
0.76090300 0.58565500
O S
0.32029200 0.07499100
O P
0.61470900 -0.08557800
O P
1.47530100 0.04180000
O P
3.69563000 -0.05855100
O D
7.65267200 0.09106900
O D
2.21786800 0.11163100
O D
0.68233700 0.04600700
O F
2.19178100 1.00000000
Si S
2611.04428000 1.56488400
778.10695400 4.01170900
251.33454900 9.91872000
87.77160300 7.69589500
33.01605500 -0.83505200
13.30896300 1.74225100
5.71110600 4.75683300
2.58733400 1.24764200
Si S
1.22527200 -0.32562400
Si S
0.59965700 0.17914300
Si S
0.29948700 0.24619200
Si S
0.15060100 0.09450100
Si P
24.37119500 1.00000000
8.26542500 1.00000000
3.05158100 1.00000000
1.20276300 1.00000000
Si P
0.49409300 1.00000000
Si P
0.20587200 1.00000000
Si D
16.83377400 -0.02758600
5.06087100 0.00093900
1.67639500 0.01469700
0.59142800 -0.04773700
Si D
0.21328000 -0.02554700
Si F
0.63926900 1.00000000
END
dft
mult 1
noio
tolerances acccoul 8
convergence damp 0 energy 1d-5 diis 5
noprint "final vectors analysis" multipole
iterations 15
end
set tolguess 1d-6
set quickguess t
set dft:scalanb 32
set int:acc_std double 1d-10
task dft gradient