%chk=000197432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197432

0 1
S 1.154022 1.750946 1.163865
S 3.621884 2.909915 1.973329
O -2.820733 -1.389690 1.475666
O -0.601427 1.378563 -1.801932
O 4.414008 0.404063 2.843281
O -7.343308 -2.953966 0.359331
O -5.905462 -2.462572 -1.280438
O 0.928558 4.084654 0.735958
O 1.025897 5.636239 -0.882305
N -1.558907 -0.758052 -0.306466
N -1.862098 -3.392268 -1.255786
N -1.220921 2.838862 -0.143942
C -2.997810 -2.772024 -0.528585
C -1.008800 0.415415 0.397383
C -3.784621 -3.771973 0.347225
C -2.455625 -1.609931 0.327880
C 0.385427 0.114549 0.966171
C -5.070258 -3.176407 0.922170
C -0.889003 1.564813 -0.635858
C 3.426263 0.205770 1.812684
C 2.809510 1.568458 1.670376
C -6.065996 -2.825818 -0.136731
C 4.058577 -0.247966 0.511530
C -0.807532 4.020787 -0.918101
C 3.366666 -1.117530 -0.341589
C 5.337464 0.206276 0.162495
C 3.958472 -1.539895 -1.534816
C 5.927188 -0.221347 -1.029949
C 0.458841 4.683637 -0.405664
C 5.239898 -1.095546 -1.878258
H -3.706428 -2.317199 -1.289969
H -1.713782 0.685054 1.239685
H -3.149692 -4.111030 1.193585
H -4.021599 -4.675468 -0.249430
H -1.195059 -0.951524 -1.247374
H 0.978407 -0.525310 0.276331
H 0.304385 -0.424982 1.927810
H -4.823210 -2.251841 1.515095
H -5.522691 -3.867443 1.667935
H -1.348086 -4.037950 -0.663313
H -2.192686 -3.912156 -2.064794
H -1.302625 3.001658 0.862806
H 2.704586 -0.551660 2.208993
H -1.634599 4.774098 -0.914967
H -0.649036 3.737287 -1.997796
H 2.358551 -1.454738 -0.088916
H 5.862448 0.902046 0.822510
H 3.417885 -2.211016 -2.201214
H 6.920911 0.133689 -1.301221
H 5.042853 -0.351637 2.863201
H 5.698982 -1.425061 -2.809521
H -8.042290 -2.700500 -0.302023
H 1.785804 4.505722 1.075363


%chk=000197432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197432

0 1
S 2.129592 1.915727 -0.291596
S 3.493911 2.256700 2.353275
O -0.956167 -1.346802 0.673274
O -1.953491 2.540032 -2.178630
O 2.054151 -0.236741 3.261650
O -3.601449 -4.888882 2.537238
O -4.814799 -3.643275 1.004907
O 0.526124 5.707764 0.522233
O -0.429263 7.353510 -0.821560
N -1.632468 0.187336 -0.934913
N -3.381535 -1.417585 -2.094484
N -0.636968 3.690942 -0.656217
C -2.899409 -1.903681 -0.782018
C -0.669922 1.214835 -0.545038
C -2.517209 -3.415465 -0.768281
C -1.737729 -1.009358 -0.284499
C 0.761736 0.802610 -1.008862
C -2.392781 -4.042801 0.636506
C -1.143212 2.538434 -1.197589
C 2.025145 -0.093656 1.807864
C 2.502242 1.295174 1.371150
C -3.719572 -4.143561 1.358172
C 2.857409 -1.195413 1.114965
C -0.993335 4.996125 -1.217740
C 2.190512 -2.362175 0.662758
C 4.267283 -1.107959 0.997836
C 2.928067 -3.429148 0.102575
C 5.001244 -2.176207 0.437600
C -0.297757 6.152353 -0.519336
C 4.334511 -3.339828 -0.012841
H -3.729514 -1.767485 -0.063135
H -0.661454 1.306771 0.559434
H -1.556830 -3.553337 -1.302903
H -3.297408 -3.950906 -1.341435
H -2.308330 0.370087 -1.698683
H 0.874059 0.904881 -2.101297
H 0.970209 -0.237277 -0.718263
H -1.703333 -3.437098 1.255319
H -1.958859 -5.058528 0.583722
H -2.862885 -1.793057 -2.896764
H -4.393133 -1.504521 -2.223353
H 0.054854 3.670534 0.099979
H 0.960993 -0.244525 1.542235
H -2.086181 5.163210 -1.158857
H -0.746760 5.046533 -2.296073
H 1.101251 -2.428673 0.767963
H 4.793409 -0.210556 1.343508
H 2.406873 -4.331596 -0.237011
H 6.091225 -2.101700 0.351745
H 2.839258 0.282182 3.601560
H 4.905992 -4.168105 -0.446811
H -4.481759 -4.910138 3.002579
H 0.986666 6.472299 0.959846


