%chk=000180217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180217

0 1
S 0.010690 1.000842 0.630337
O 0.077252 2.452477 0.616018
O 0.592797 0.282200 1.753308
N 0.722819 0.469639 -0.827638
C 0.740120 -0.970077 -1.222238
C 1.887211 1.193097 -1.426183
C 1.438314 -0.953520 -2.605438
C 2.278605 0.334956 -2.659122
C 1.474555 -1.878539 -0.216149
C 3.068660 1.378572 -0.450029
C 1.158633 -3.359215 -0.455976
C 3.158895 2.813665 0.086009
C -1.629808 0.484950 0.451846
C 1.896036 -4.257175 0.535133
C 4.277906 2.960843 1.113885
C -2.094146 -0.626189 1.164193
C -2.500498 1.189959 -0.384905
C -3.419025 -1.041064 1.033090
C -3.827880 0.781172 -0.521536
C -4.296466 -0.337681 0.188507
C -5.711941 -0.784785 0.036466
H -0.323509 -1.304882 -1.323214
H 1.508067 2.194662 -1.758572
H 0.685120 -0.958838 -3.411737
H 2.064907 -1.847673 -2.755070
H 3.356426 0.100009 -2.658659
H 2.084854 0.891671 -3.590768
H 1.209312 -1.603704 0.829927
H 2.565994 -1.703512 -0.272425
H 4.021335 1.115744 -0.948145
H 2.992876 0.666497 0.397332
H 1.432214 -3.644326 -1.490914
H 0.067399 -3.530813 -0.371374
H 2.187221 3.109574 0.546544
H 3.319654 3.520958 -0.749623
H 2.983209 -4.150181 0.445186
H 1.633323 -4.013088 1.571778
H 1.653699 -5.312850 0.373082
H 4.108345 2.312642 1.982727
H 5.255650 2.703903 0.694221
H 4.335396 3.990211 1.485592
H -1.415331 -1.168564 1.834146
H -2.144994 2.070113 -0.931397
H -3.774097 -1.905678 1.589957
H -4.500206 1.333679 -1.174588
H -5.806348 -1.502232 -0.793597
H -6.094860 -1.284019 0.937595
H -6.394991 0.048570 -0.180384


%chk=000180217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180217

0 1
S -0.243201 0.956095 0.920136
O -0.259877 2.585127 0.994549
O 0.298074 0.097126 2.208645
N 0.565532 0.572854 -0.660009
C 0.671305 -0.850787 -1.109797
C 1.763969 1.397423 -1.062338
C 1.287509 -0.584820 -2.510004
C 2.318482 0.554753 -2.259601
C 1.522989 -1.807092 -0.227198
C 2.813476 1.646938 0.050948
C 1.312817 -3.291344 -0.607822
C 3.947401 2.588130 -0.419589
C -1.986991 0.327413 0.561341
C 2.170587 -4.245955 0.250944
C 4.988505 2.850348 0.689758
C -2.413319 -0.842654 1.204804
C -2.810537 1.086915 -0.286202
C -3.735455 -1.284152 0.964683
C -4.125364 0.626783 -0.509512
C -4.605188 -0.561996 0.107698
C -6.030115 -1.027655 -0.131068
H -0.354300 -1.261247 -1.193241
H 1.384583 2.378294 -1.404463
H 0.496008 -0.245202 -3.200302
H 1.755858 -1.490733 -2.933133
H 3.298669 0.127318 -1.979349
H 2.470080 1.175356 -3.158222
H 1.254739 -1.656669 0.835961
H 2.597263 -1.549393 -0.321146
H 3.238652 0.680150 0.386475
H 2.315317 2.107223 0.925610
H 1.550281 -3.447249 -1.679930
H 0.239951 -3.548445 -0.486649
H 3.505487 3.551360 -0.746969
H 4.454076 2.156987 -1.306706
H 3.249176 -4.041712 0.113649
H 1.942283 -4.121187 1.325823
H 1.989896 -5.303609 -0.015338
H 4.512245 3.308614 1.576208
H 5.465152 1.907206 1.017196
H 5.786795 3.531690 0.342323
H -1.736888 -1.370866 1.885113
H -2.438132 2.009624 -0.741973
H -4.094145 -2.196345 1.454839
H -4.790902 1.198824 -1.166757
H -6.270426 -1.053083 -1.209550
H -6.203648 -2.036373 0.280353
H -6.755275 -0.341985 0.347010


