%chk=000216966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216966

0 1
S 1.746507 -1.978057 -1.323600
P 1.917308 0.008624 -0.698478
O -1.608415 -1.379264 0.511080
O 2.416761 0.810587 -2.037909
O 3.354653 -0.203701 0.060966
O 0.782186 0.606409 0.037892
N -2.500867 -0.519871 -1.363577
N -1.424706 -1.268425 -1.726949
C -3.182075 1.566777 1.144370
C -3.547894 0.071654 0.927187
C -4.255504 2.227847 2.015117
C -1.796170 1.702395 1.772975
C -2.624616 -0.562008 -0.029282
C -0.868017 -1.780640 -0.622431
C 0.314888 -2.606172 -0.369357
C 1.399078 1.548346 -2.785676
C 4.029412 0.986100 0.561274
C 0.733727 0.639272 -3.795881
C 3.340268 1.540467 1.792924
H -3.172647 2.067898 0.142496
H -3.525653 -0.467858 1.899173
H -4.591347 -0.009522 0.548016
H -5.247223 2.170476 1.554471
H -4.319795 1.766913 3.006692
H -4.030674 3.290071 2.169750
H -1.730759 1.213286 2.749026
H -1.519111 2.752400 1.908937
H -1.011971 1.251202 1.136261
H 0.160646 -3.654869 -0.721502
H 0.547481 -2.665124 0.718917
H 0.677771 2.030666 -2.097446
H 2.029257 2.322605 -3.270055
H 5.028799 0.563589 0.798993
H 4.134567 1.729891 -0.250489
H 0.307119 1.211972 -4.628232
H 1.447197 -0.079603 -4.222954
H -0.095185 0.049262 -3.369563
H 3.960546 2.296690 2.288121
H 2.369832 2.010092 1.570191
H 3.136728 0.747426 2.526951


%chk=000216966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216966

0 1
S 1.790534 -2.327911 -1.192525
P 2.034974 -0.145132 -0.513129
O -1.814541 -1.394397 0.464301
O 2.348019 0.856597 -1.883296
O 3.634748 -0.257176 0.109741
O 0.843773 0.353216 0.429635
N -2.423366 -0.351230 -1.465011
N -1.271617 -1.185645 -1.734362
C -3.288680 1.592839 1.179207
C -3.748555 0.193149 0.647786
C -4.469260 2.264233 1.917286
C -2.040389 1.486921 2.085144
C -2.708480 -0.492532 -0.170255
C -0.942870 -1.763514 -0.583103
C 0.184210 -2.678636 -0.242148
C 1.213449 1.497450 -2.633569
C 4.417943 0.994623 0.381164
C 0.784463 0.640389 -3.823241
C 3.893709 1.752103 1.603857
H -3.029784 2.206531 0.292673
H -4.019212 -0.449836 1.505593
H -4.647877 0.324677 0.019613
H -5.357144 2.363163 1.264833
H -4.762298 1.675385 2.807982
H -4.187001 3.275373 2.262561
H -2.245748 0.837570 2.958591
H -1.762763 2.486691 2.467878
H -1.164968 1.075715 1.551545
H -0.036622 -3.726127 -0.514051
H 0.386188 -2.621959 0.837304
H 0.376266 1.685031 -1.934959
H 1.647464 2.461526 -2.949232
H 5.432766 0.597970 0.548021
H 4.412655 1.618452 -0.530690
H 0.063738 1.211988 -4.438742
H 1.653687 0.385943 -4.453752
H 0.282072 -0.282066 -3.488325
H 4.556001 2.612325 1.817208
H 2.872318 2.136260 1.435072
H 3.874300 1.097842 2.491795


