%chk=000179291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179291

0 1
S 1.961823 -1.091067 0.397335
P 0.036374 -0.690139 -0.225979
O -0.367446 0.528329 0.841678
O -0.876958 -1.949328 0.284699
O -0.166433 -0.331038 -1.645320
N -0.105454 3.781971 1.226288
C -2.664081 1.422327 0.799904
C -1.201378 1.581850 0.298753
C 3.025947 -0.252652 -0.902213
C 2.758433 1.245763 -0.976674
C -2.700451 1.112293 2.295328
C -3.394310 0.357605 -0.018026
C 4.430171 -0.617746 -0.468190
C 2.823277 1.982307 0.354951
C -0.589393 2.815803 0.821291
C -1.135972 -2.116539 1.706998
C 0.023962 -2.788149 2.411537
H -3.174384 2.407107 0.625091
H -1.162620 1.597126 -0.829523
H 2.781301 -0.731567 -1.883353
H 3.503881 1.692127 -1.673798
H 1.780227 1.438910 -1.469793
H -2.281768 1.934213 2.888915
H -2.100169 0.213783 2.528729
H -3.722527 0.934508 2.644908
H -3.054439 -0.660934 0.211245
H -4.472277 0.380434 0.182392
H -3.264584 0.500467 -1.098950
H 4.684578 -0.215921 0.523678
H 4.591274 -1.704359 -0.432539
H 5.172496 -0.209607 -1.169909
H 3.787674 1.841392 0.855575
H 2.682188 3.062094 0.215103
H 2.045031 1.654043 1.058171
H -2.029237 -2.775805 1.661429
H -1.418263 -1.139015 2.167290
H -0.315053 -3.332911 3.301746
H 0.518454 -3.522644 1.756805
H 0.795207 -2.080831 2.746629


%chk=000179291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179291

0 1
S 2.197181 -0.773849 0.716572
P 0.092331 -0.990678 -0.121820
O -0.986230 -0.031168 0.896861
O -0.465367 -2.560672 0.292750
O -0.023656 -0.625660 -1.667403
N 0.186326 3.146792 1.619142
C -2.868101 1.550010 0.697186
C -1.355120 1.322339 0.415269
C 3.019369 0.040510 -0.852366
C 2.970116 1.579255 -0.760085
C -3.198023 1.419191 2.200092
C -3.712133 0.590024 -0.170155
C 4.430811 -0.560375 -0.963840
C 3.733320 2.202261 0.425876
C -0.498528 2.327097 1.087938
C -1.096268 -2.878468 1.613684
C -0.113250 -2.783449 2.782646
H -3.073972 2.593534 0.378370
H -1.174809 1.380174 -0.679291
H 2.381157 -0.301938 -1.687347
H 3.385796 1.965695 -1.715196
H 1.912939 1.903220 -0.728824
H -2.618048 2.135113 2.810059
H -2.971083 0.399910 2.559089
H -4.271219 1.616601 2.370560
H -3.509461 -0.461345 0.099972
H -4.788195 0.783399 -0.013435
H -3.495515 0.711696 -1.247336
H 5.040385 -0.362171 -0.065142
H 4.388965 -1.651217 -1.120430
H 4.947861 -0.102907 -1.829346
H 4.814498 1.976486 0.385230
H 3.616558 3.300223 0.421424
H 3.333121 1.831041 1.386453
H -1.441940 -3.912727 1.451915
H -1.965711 -2.212982 1.758095
H -0.604241 -3.149372 3.703840
H 0.782079 -3.401075 2.598738
H 0.203158 -1.740318 2.962458


