%chk=000270232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270232

0 1
S -5.434516 3.551842 0.390628
S 6.003665 2.671295 0.852064
O -6.546370 3.909341 -0.466376
O -5.494459 3.752034 1.822827
O 5.790598 3.059962 2.230702
O 7.321012 2.727281 0.251667
N -2.360005 -2.233440 -1.066014
N 2.307768 -2.674886 -0.815520
N -0.386455 -2.156975 -2.241292
N -1.414342 -2.637026 1.226497
N 1.031734 -2.793019 1.205232
N -4.100690 4.488446 -0.157862
N 5.020304 3.726154 -0.086640
C -3.799064 -2.139440 -0.773143
C -1.340510 -2.433189 -0.132735
C -4.202601 -0.708124 -0.489623
C -0.114231 -2.396821 -0.885718
C 1.102374 -2.604888 -0.159126
C -1.717282 -2.050761 -2.334026
C 3.598418 -2.780529 -0.100610
C 4.204516 -1.413892 0.134299
C -4.949719 0.012054 -1.432307
C -3.837253 -0.113612 0.726173
C -4.960553 1.923267 0.055268
C -5.328667 1.328385 -1.154983
C -4.218310 1.202912 0.996424
C 3.735739 -0.618499 1.189700
C 5.232556 -0.945984 -0.696738
C 5.315364 1.111293 0.578424
C 4.292998 0.642766 1.410350
C 5.787291 0.316420 -0.470371
C -0.201650 -2.808148 1.810575
H -4.028933 -2.782852 0.118390
H -4.375456 -2.569299 -1.625450
H -2.281952 -1.860522 -3.235854
H 4.274183 -3.430573 -0.704898
H 3.454039 -3.311391 0.877558
H 2.340540 -2.394051 -1.797318
H -5.239524 -0.444622 -2.376829
H -3.253043 -0.679109 1.459003
H -5.924166 1.888606 -1.885718
H -3.943180 1.662447 1.952925
H 2.935031 -0.988965 1.836154
H 5.604883 -1.560078 -1.514921
H 3.934474 1.257673 2.243917
H 6.600373 0.676081 -1.111609
H -0.191495 -2.974022 2.902367
H -4.235461 5.088785 -0.968363
H -3.544643 4.985226 0.534804
H 4.430401 4.394976 0.403308
H 5.440469 4.182673 -0.893109


%chk=000270232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270232

0 1
S -6.366694 3.193724 0.799254
S 7.049257 2.595339 0.753177
O -7.670273 3.486442 -0.132593
O -6.410212 3.157434 2.426868
O 6.247297 3.665716 1.682769
O 8.556011 2.068494 1.080359
N -2.414901 -2.084263 -1.297330
N 2.220764 -2.174447 -0.648612
N -0.367038 -1.788267 -2.296817
N -1.662832 -2.641522 1.007839
N 0.789108 -2.658366 1.189505
N -5.114330 4.453048 0.314602
N 7.101337 3.331034 -0.936999
C -3.880146 -2.150132 -1.105878
C -1.457649 -2.310415 -0.302402
C -4.488689 -0.828068 -0.645042
C -0.202920 -2.128186 -0.941390
C 0.957802 -2.321126 -0.133113
C -1.702888 -1.769437 -2.466040
C 3.446611 -2.405800 0.125373
C 4.328032 -1.166116 0.244330
C -5.311237 -0.072196 -1.515926
C -4.244857 -0.365068 0.674617
C -5.594640 1.576658 0.213358
C -5.877742 1.150919 -1.091987
C -4.800808 0.853586 1.117915
C 3.753411 0.097311 0.540351
C 5.733819 -1.275579 0.105516
C 5.951200 1.082765 0.535380
C 4.564600 1.241041 0.690698
C 6.567400 -0.144582 0.252688
C -0.481664 -2.798402 1.677116
H -4.059805 -2.935189 -0.349892
H -4.332014 -2.478358 -2.057749
H -2.206551 -1.540864 -3.403103
H 4.026213 -3.236431 -0.322152
H 3.111774 -2.734551 1.127211
H 2.287414 -1.910773 -1.634373
H -5.518276 -0.437045 -2.528904
H -3.621916 -0.966242 1.347324
H -6.535128 1.740209 -1.738889
H -4.648845 1.217969 2.138803
H 2.667843 0.181547 0.656027
H 6.185079 -2.249627 -0.117071
H 4.142204 2.218395 0.944322
H 7.656718 -0.213733 0.171166
H -0.556922 -3.065882 2.735195
H -5.586177 5.150634 -0.285003
H -4.712706 4.860621 1.175429
H 6.740582 4.297696 -0.869501
H 8.077588 3.285284 -1.274320


