%chk=000270034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270034

0 1
S 0.884220 2.602901 0.060709
O 1.379807 3.486776 1.092590
O 0.602077 3.097477 -1.253094
O -0.962895 0.400548 -0.721263
O 4.269573 -2.995594 -1.121463
O 5.214883 -2.382266 0.726886
N -0.612645 2.061978 0.794157
N -2.666404 0.838968 0.814539
N 4.410839 -2.238759 -0.177589
C 1.884140 1.191203 -0.012354
C 1.741132 0.280848 -1.061567
C 2.851373 0.993651 0.981306
C 3.526491 -1.036124 -0.122943
C 2.568515 -0.848704 -1.122759
C 3.682338 -0.126786 0.932990
C -1.409183 1.043102 0.217136
C -3.614642 -0.163386 0.413019
C -4.806822 -0.243140 1.162665
C -3.388347 -1.030287 -0.667306
C -5.763300 -1.198718 0.817925
C -4.360715 -1.978436 -0.992299
C -5.546009 -2.068158 -0.256236
H 0.971612 0.433308 -1.835779
H 2.965232 1.720876 1.796879
H -0.951290 2.572817 1.620513
H 2.466085 -1.575474 -1.937208
H 4.444688 -0.300390 1.700725
H -2.959148 1.443836 1.584309
H -4.990298 0.425179 1.999502
H -2.465792 -0.966990 -1.253104
H -6.687155 -1.265628 1.392835
H -4.188897 -2.653577 -1.831563
H -6.296966 -2.810252 -0.518057


%chk=000270034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270034

0 1
S 0.831784 2.535977 0.107771
O 1.339962 3.522540 1.295634
O 0.526373 3.084347 -1.378717
O -1.045581 0.266404 -0.802890
O 4.783283 -2.848860 -1.271690
O 5.661038 -2.220716 0.737926
N -0.689083 1.834648 0.883866
N -2.775816 0.783298 0.728144
N 4.823792 -2.086435 -0.233340
C 2.019832 1.066078 0.005418
C 1.970849 0.238791 -1.127298
C 2.937271 0.928196 1.059823
C 3.834675 -0.973089 -0.148890
C 2.909828 -0.810404 -1.203762
C 3.870823 -0.125547 0.979480
C -1.498890 0.909781 0.186975
C -3.782189 -0.169611 0.378793
C -4.986738 -0.134600 1.131448
C -3.626461 -1.118974 -0.664706
C -6.027780 -1.040211 0.845740
C -4.678505 -2.021243 -0.933967
C -5.879418 -1.992506 -0.189364
H 1.222836 0.402967 -1.906212
H 2.930683 1.631356 1.898358
H -0.982565 2.399079 1.690579
H 2.931696 -1.497291 -2.053083
H 4.615087 -0.294999 1.761345
H -3.037297 1.430676 1.474809
H -5.109336 0.599357 1.939189
H -2.704154 -1.136398 -1.247522
H -6.952004 -1.001816 1.432362
H -4.554477 -2.752497 -1.740420
H -6.687023 -2.697498 -0.411699


