%chk=000218934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218934

0 1
S -2.060100 0.814220 -1.185011
P -3.706077 -0.085804 -0.231778
O -4.020571 0.908509 1.055335
O -3.446229 -1.456119 0.272392
O 5.732707 0.505110 -1.285098
N 0.843176 -1.743153 0.282744
C -0.359432 -1.229746 -0.435658
C -0.645776 0.248175 -0.162793
C 2.082292 -1.085292 -0.028823
C 0.571558 -1.984540 1.726586
C 3.062886 -0.816848 0.941222
C 2.371481 -0.807134 -1.391698
C -5.016558 0.145868 -1.523997
C 4.309021 -0.290435 0.578021
C 3.596757 -0.280088 -1.763374
C 4.563703 -0.024051 -0.766971
C -4.382878 2.292394 0.850088
C -5.892479 2.426948 0.742599
C 6.810513 0.774847 -0.359980
H -0.210319 -1.409741 -1.525778
H -1.228931 -1.873886 -0.137402
H 0.210714 0.888584 -0.461324
H -0.825307 0.441994 0.911342
H 1.343714 -2.662825 2.127887
H 0.535943 -1.075200 2.344393
H -0.398055 -2.505108 1.831771
H 2.878527 -1.017974 1.994175
H 1.626409 -1.025824 -2.157713
H -5.016179 1.148457 -1.966246
H -4.877765 -0.574544 -2.345989
H -6.014722 -0.044392 -1.103241
H 5.051050 -0.099574 1.346229
H 3.833346 -0.064917 -2.803605
H -3.847892 2.743314 -0.004463
H -4.001627 2.747981 1.790500
H -6.226789 3.415895 1.080997
H -6.268492 2.288787 -0.275804
H -6.392564 1.683857 1.382995
H 7.589759 1.162028 -1.029087
H 7.136665 -0.149256 0.125725
H 6.507520 1.532885 0.367531


%chk=000218934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218934

0 1
S -2.583660 0.947670 -1.469075
P -3.992387 -0.211037 -0.029223
O -5.381514 0.799415 0.220977
O -3.200807 -0.664746 1.291799
O 6.056872 0.297084 -1.252525
N 0.726499 -0.917642 0.321324
C -0.401003 -0.701794 -0.589860
C -1.009525 0.709090 -0.420004
C 2.052877 -0.617221 -0.047179
C 0.421519 -1.403923 1.674859
C 3.143380 -0.939736 0.812664
C 2.367950 0.018543 -1.291620
C -4.811727 -1.538081 -1.032463
C 4.479767 -0.653512 0.452545
C 3.696331 0.296908 -1.652098
C 4.765537 -0.035552 -0.786085
C -5.274341 2.009827 1.089231
C -5.308863 3.275743 0.230837
C 7.178990 -0.029574 -0.376713
H -0.095151 -0.866608 -1.638449
H -1.184293 -1.447037 -0.360179
H -0.325149 1.507832 -0.752443
H -1.290581 0.876392 0.632384
H 0.806952 -2.431517 1.843781
H 0.858841 -0.744990 2.451385
H -0.672021 -1.413509 1.817612
H 2.959231 -1.432148 1.771617
H 1.573720 0.311341 -1.985072
H -5.317655 -1.075058 -1.892491
H -4.042065 -2.240992 -1.384294
H -5.545327 -2.058853 -0.397537
H 5.280713 -0.924331 1.147864
H 3.925543 0.783767 -2.605454
H -4.356635 1.947354 1.705570
H -6.148536 1.946102 1.759490
H -5.311880 4.170235 0.882251
H -4.430122 3.326742 -0.434075
H -6.221396 3.297189 -0.389336
H 8.077099 0.306280 -0.916668
H 7.244811 -1.120310 -0.189131
H 7.107006 0.504058 0.592484


