%chk=000270148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270148

0 1
S 5.497911 1.364179 -0.118292
O -2.302413 -0.728180 -0.845067
O -1.062385 -0.362775 1.047951
O 6.014757 1.933857 -1.348173
O 5.572915 2.087041 1.135565
N -0.157500 -0.177013 -1.124227
N 6.341884 -0.123471 0.123854
C -4.501163 0.145418 -0.350336
C -3.524732 -1.002516 -0.037749
C -5.875622 -0.222458 0.239867
C -5.380532 -2.703479 0.013822
C -3.992199 -2.358439 -0.562811
C -6.378377 -1.569034 -0.293601
C -3.961363 1.509507 0.157217
C -5.878016 -4.036286 -0.552059
C -4.885289 2.654661 -0.275373
C -3.733635 1.538030 1.671031
C -1.158111 -0.411642 -0.158557
C 1.182869 0.197902 -0.836016
C 1.640931 0.399497 0.479875
C 2.056322 0.368518 -1.935113
C 3.846044 0.914476 -0.391656
C 2.968027 0.766164 0.687633
C 3.379003 0.732451 -1.697668
C 6.441044 -0.999155 -1.065390
C 6.023420 -0.839746 1.379485
H -4.600439 0.220545 -1.462925
H -3.238864 -1.037599 1.036851
H -5.819341 -0.246519 1.345692
H -6.606309 0.572328 -0.005158
H -5.286840 -2.802719 1.124238
H -3.257643 -3.142665 -0.301181
H -4.025164 -2.343144 -1.670235
H -7.362587 -1.804356 0.152745
H -6.551152 -1.503048 -1.384650
H -2.968512 1.667065 -0.341127
H -5.184718 -4.853195 -0.322417
H -6.852143 -4.309105 -0.130478
H -5.992822 -4.002422 -1.641222
H -5.853836 2.612774 0.234676
H -4.439557 3.627704 -0.038389
H -5.076460 2.637053 -1.353237
H -4.643172 1.301473 2.231479
H -3.397119 2.527404 2.001409
H -2.954473 0.822537 1.972998
H -0.429716 -0.273399 -2.109609
H 0.960692 0.280099 1.330968
H 1.706865 0.230406 -2.955093
H 3.320447 0.949567 1.710353
H 4.056748 0.886980 -2.546951
H 6.790017 -0.400562 -1.930143
H 5.501929 -1.508353 -1.333265
H 7.209558 -1.773485 -0.891427
H 6.068801 -0.127534 2.227409
H 6.795519 -1.605573 1.574090
H 5.042401 -1.340468 1.380285


%chk=000270148-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270148

0 1
S 5.727911 1.257787 0.063841
O -2.339846 -0.477456 -0.812060
O -1.072660 -0.443781 1.181521
O 6.244020 2.078114 -1.242811
O 5.859654 1.811722 1.586862
N -0.148231 0.004415 -0.956828
N 6.722844 -0.363471 0.044843
C -4.680919 0.187619 -0.388110
C -3.593032 -0.862451 -0.071068
C -6.013117 -0.287219 0.258511
C -5.311098 -2.744826 0.088253
C -3.971259 -2.277490 -0.537664
C -6.416354 -1.702955 -0.213828
C -4.265064 1.642219 0.004572
C -5.692535 -4.154580 -0.409798
C -5.259860 2.682601 -0.565732
C -4.071587 1.852487 1.527376
C -1.169711 -0.317884 -0.064735
C 1.206840 0.280129 -0.663742
C 1.723139 0.283870 0.663108
C 2.062659 0.580336 -1.762034
C 3.906293 0.854334 -0.229085
C 3.084739 0.577194 0.877251
C 3.422093 0.870948 -1.549519
C 6.650605 -1.002690 -1.288527
C 6.342832 -1.225128 1.187600
H -4.823998 0.178003 -1.491734
H -3.346892 -0.864544 1.007582
H -5.911830 -0.289713 1.362589
H -6.816402 0.432421 0.014346
H -5.179110 -2.788044 1.191655
H -3.158626 -2.981593 -0.274881
H -4.064996 -2.277532 -1.642628
H -7.362572 -2.008909 0.273883
H -6.608552 -1.689132 -1.307555
H -3.285962 1.825607 -0.484697
H -4.906649 -4.894390 -0.168812
H -6.635881 -4.499261 0.053043
H -5.834659 -4.157720 -1.507731
H -6.247189 2.616576 -0.071559
H -4.880827 3.709046 -0.407062
H -5.412957 2.541880 -1.652674
H -5.020225 1.717281 2.079565
H -3.720261 2.882056 1.725121
H -3.320523 1.162380 1.952113
H -0.440639 0.047252 -1.935901
H 1.057480 0.068023 1.500877
H 1.659759 0.596223 -2.781816
H 3.494104 0.621990 1.891816
H 4.085126 1.138428 -2.378478
H 6.844303 -0.239222 -2.060034
H 5.684097 -1.516693 -1.494956
H 7.463094 -1.750331 -1.337525
H 6.307401 -0.609079 2.101426
H 7.145149 -1.974790 1.313857
H 5.375780 -1.760761 1.051869


