%chk=000188056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188056

0 1
S 1.513912 -1.195022 -0.367482
P 2.279753 0.879891 0.309064
O 2.737784 1.655682 -1.171899
O 3.796410 0.620791 1.090276
O 1.258870 1.691552 1.222907
N -3.800713 -0.405367 -0.056590
C -2.584279 -0.657063 0.780405
C -1.329855 -0.819565 -0.141567
C -2.400137 0.505356 1.790205
C -1.565804 -1.893175 -1.229076
C -4.035630 -1.460634 -1.073912
C -5.024567 -0.213565 0.768004
C -2.842936 -1.590437 -2.033344
C -3.657525 0.743599 2.651627
C -4.882877 0.966518 1.743597
C -0.081758 -1.152043 0.695683
C 2.065111 2.930096 -1.585015
C 4.726776 -0.467400 0.679571
C 1.433160 2.748013 -2.967932
C 5.553383 -0.110736 -0.562951
C 0.245240 1.765443 -2.976957
C 6.572428 -1.230130 -0.875974
H -2.716247 -1.616103 1.359894
H -1.170206 0.159484 -0.635832
H -1.537609 0.300496 2.449066
H -2.159720 1.424179 1.220619
H -0.683839 -1.945693 -1.896151
H -1.665055 -2.887686 -0.742521
H -4.951923 -1.192861 -1.633664
H -4.224219 -2.457224 -0.589461
H -5.871342 -0.039286 0.076940
H -5.262160 -1.142800 1.353558
H -3.041343 -2.392482 -2.769892
H -2.720476 -0.641488 -2.590388
H -3.837982 -0.138551 3.301102
H -3.499110 1.609799 3.321414
H -4.753788 1.900911 1.164110
H -5.808868 1.064709 2.342532
H 0.105252 -0.400503 1.478506
H -0.138856 -2.157534 1.149017
H 2.869512 3.686898 -1.605407
H 1.313935 3.212832 -0.822417
H 4.149903 -1.402375 0.528656
H 5.371167 -0.584124 1.568135
H 2.214675 2.411537 -3.675442
H 1.103107 3.750770 -3.310702
H 6.078665 0.845518 -0.383142
H 4.882490 0.051488 -1.427197
H 0.566169 0.761929 -2.643847
H -0.561113 2.110059 -2.301944
H -0.181263 1.669345 -3.991650
H 7.271588 -1.387135 -0.033165
H 6.065350 -2.192004 -1.079520
H 7.172556 -0.973009 -1.766544


%chk=000188056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188056

0 1
S 1.475478 -1.144236 -0.372159
P 2.351690 0.858742 0.388333
O 2.812244 1.693648 -1.060901
O 3.871198 0.487884 1.115897
O 1.386193 1.664108 1.366107
N -3.854094 -0.510767 -0.075105
C -2.620531 -0.632050 0.764493
C -1.368557 -0.847041 -0.149324
C -2.467433 0.637615 1.641971
C -1.578619 -2.021627 -1.133638
C -4.059344 -1.667843 -0.982004
C -5.074214 -0.282029 0.744947
C -2.874467 -1.840426 -1.944346
C -3.721907 0.922466 2.493753
C -4.967624 0.998695 1.589213
C -0.109509 -1.075630 0.707004
C 2.153215 2.995188 -1.408127
C 4.761347 -0.582620 0.584258
C 1.521446 2.888848 -2.799028
C 5.581691 -0.128234 -0.629888
C 0.318220 1.926297 -2.855416
C 6.557253 -1.241808 -1.074409
H -2.712003 -1.527578 1.444369
H -1.235127 0.085877 -0.733108
H -1.588163 0.538721 2.303085
H -2.273059 1.497679 0.970982
H -0.702084 -2.102278 -1.805563
H -1.635964 -2.971011 -0.558424
H -4.993270 -1.492189 -1.548870
H -4.199138 -2.619930 -0.401149
H -5.935708 -0.213685 0.053527
H -5.267773 -1.153399 1.427818
H -3.050076 -2.713840 -2.601159
H -2.795977 -0.942606 -2.587048
H -3.858200 0.111405 3.239572
H -3.588206 1.862180 3.062134
H -4.885224 1.870571 0.911886
H -5.888659 1.123291 2.190832
H 0.061113 -0.261991 1.430583
H -0.137864 -2.044873 1.234774
H 2.964197 3.744874 -1.387147
H 1.403498 3.245237 -0.632888
H 4.152657 -1.480314 0.352565
H 5.413154 -0.806825 1.446347
H 2.299130 2.572550 -3.519928
H 1.208861 3.911500 -3.095918
H 6.142015 0.786674 -0.362130
H 4.903276 0.143908 -1.459610
H 0.623279 0.902707 -2.572410
H -0.482182 2.249417 -2.162520
H -0.110957 1.887641 -3.872714
H 7.262297 -1.508445 -0.264637
H 6.014846 -2.160315 -1.367765
H 7.153631 -0.913238 -1.943815


