%chk=000198315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198315

0 1
S 2.403390 0.353950 -2.085591
P 2.800229 0.124229 -0.238261
O -3.059398 1.169521 0.412201
O 2.515139 -1.240164 0.580690
O 4.360254 0.290027 0.216718
O 2.291102 1.459296 0.750860
N -0.902583 0.256552 0.019768
N 0.394495 0.393830 0.129375
C -3.669043 0.004135 -0.288576
C -5.055938 0.563166 -0.620297
C -3.705166 -1.171774 0.687645
C -5.961465 -0.556448 -1.147139
C -4.625810 -2.275126 0.151890
C -6.026985 -1.733290 -0.163679
C -1.712956 1.247912 0.510879
C -1.206679 2.420521 1.157238
C 0.161593 2.553882 1.275526
C 0.934800 1.497858 0.733454
C 1.775109 -2.336605 -0.099760
C 5.098989 1.486012 -0.236018
C 2.804845 -3.184456 -0.829117
C 1.134882 -3.035698 1.090115
C 5.931568 1.057187 -1.433759
C 5.929734 1.837576 0.990803
H -3.068386 -0.212936 -1.195681
H -5.497008 1.026069 0.285783
H -4.970487 1.380443 -1.360954
H -2.681869 -1.566834 0.845234
H -4.053690 -0.823843 1.679624
H -6.977599 -0.157324 -1.328109
H -5.592300 -0.907637 -2.130678
H -4.181634 -2.724537 -0.758032
H -4.694941 -3.093928 0.892798
H -6.523332 -1.411628 0.772332
H -6.657255 -2.539692 -0.582992
H -1.906180 3.167681 1.531562
H 0.641835 3.408071 1.749734
H 1.004179 -1.917488 -0.789225
H 4.394070 2.309169 -0.491735
H 3.725637 -3.288584 -0.237301
H 3.088826 -2.753400 -1.799074
H 2.427109 -4.194159 -1.025241
H 1.885371 -3.288574 1.851834
H 0.399884 -2.378347 1.574876
H 0.625727 -3.956855 0.790976
H 6.393965 0.075663 -1.259600
H 5.322907 0.962178 -2.344940
H 6.734324 1.770633 -1.645882
H 6.606531 2.674825 0.796944
H 5.284020 2.101917 1.838881
H 6.532189 0.977922 1.316296


%chk=000198315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198315

0 1
S 2.867921 0.280332 -2.446414
P 3.121954 0.026418 -0.413105
O -3.212262 1.282985 0.398194
O 2.890033 -1.488097 0.335554
O 4.655771 0.341838 0.269022
O 2.251365 1.265412 0.588575
N -1.146304 0.191319 -0.007831
N 0.228176 0.217913 0.040128
C -3.914302 0.064403 -0.146110
C -5.286097 0.559424 -0.620318
C -4.022861 -1.008547 0.951646
C -6.142104 -0.633092 -1.117849
C -4.880292 -2.199561 0.452282
C -6.272306 -1.725931 -0.029664
C -1.835765 1.274846 0.453484
C -1.202113 2.436142 0.994561
C 0.190754 2.452761 1.042700
C 0.867465 1.302888 0.544115
C 1.933879 -2.498749 -0.277706
C 5.414506 1.578483 -0.163938
C 2.739171 -3.421128 -1.197804
C 1.302546 -3.198328 0.927074
C 6.572037 1.112407 -1.052720
C 5.846194 2.268289 1.132731
H -3.309892 -0.321231 -0.989249
H -5.796438 1.060226 0.225996
H -5.156836 1.312280 -1.419673
H -3.013162 -1.350938 1.240265
H -4.499647 -0.554218 1.842957
H -7.141507 -0.268925 -1.422232
H -5.673391 -1.072738 -2.022439
H -4.355517 -2.705993 -0.383942
H -4.983136 -2.946557 1.262008
H -6.837505 -1.316248 0.832856
H -6.854340 -2.583366 -0.418696
H -1.812429 3.270600 1.347600
H 0.757334 3.298626 1.437783
H 1.166797 -1.929934 -0.834055
H 4.727679 2.229630 -0.740959
H 3.543674 -3.925768 -0.634406
H 3.186306 -2.852992 -2.031575
H 2.071896 -4.193338 -1.624457
H 2.076898 -3.683616 1.546653
H 0.752104 -2.470790 1.545842
H 0.594388 -3.972543 0.578021
H 7.209714 0.398370 -0.503071
H 6.188111 0.619456 -1.962058
H 7.191198 1.977670 -1.355084
H 6.423656 3.182776 0.901544
H 4.965174 2.544499 1.735773
H 6.483505 1.593534 1.730385


