%chk=000195108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195108

0 1
S 1.707657 -1.389722 1.750410
O -2.104607 -0.854928 -0.145673
O -3.071949 1.198063 1.937397
O -4.364767 1.594107 -0.185192
O -1.183306 -1.222602 -2.510012
O 2.015231 -3.047533 1.557410
O 0.951619 -1.305913 2.963406
O 2.972818 -0.743348 1.575655
O -0.184341 2.124594 -0.658638
N 0.028898 0.072307 0.390657
N 1.795380 1.008366 -1.034687
N 3.578557 -0.308980 -1.799973
N 4.441471 0.801002 -1.988661
C -1.399081 -0.022151 0.801915
C -2.155373 1.327397 0.839888
C -2.999734 1.362360 -0.472182
C -2.811380 -0.035815 -1.116526
C 0.676727 -1.258593 0.285587
C 1.520796 -1.451088 -0.976972
C -1.980265 -0.030272 -2.408383
C 0.499197 1.134938 -0.498927
C 2.323228 -0.198301 -1.235325
H -1.475475 -0.582236 1.771057
H -1.510639 2.220822 0.975270
H -2.711844 2.203077 -1.141958
H -3.781893 -0.564535 -1.241969
H -0.106711 -2.076790 0.291842
H 0.828008 -1.603184 -1.858276
H 2.121792 -2.382295 -0.918376
H -1.237347 0.791140 -2.452732
H -2.623706 0.012322 -3.307051
H -3.224347 2.078471 2.349729
H -4.635469 1.087537 0.632771
H -1.582215 -1.941044 -1.966099
H 4.092012 -1.195136 -1.774887
H 2.245616 -3.549408 2.351110
H 4.540155 1.343827 -1.113466
H 4.010786 1.450444 -2.666839


%chk=000195108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195108

0 1
S 1.850176 -1.407223 1.702574
O -2.244863 -0.974982 -0.005906
O -2.955520 1.175772 1.980531
O -4.505658 1.528537 -0.018457
O -1.525134 -1.454960 -2.671605
O 0.996283 -3.054048 2.110844
O 1.423439 -0.307820 2.829303
O 3.446957 -1.708437 1.510677
O -0.178922 2.221144 -0.955964
N -0.035661 0.004260 -0.147331
N 1.874438 1.124452 -1.157391
N 3.816396 -0.095610 -1.508028
N 4.596852 1.078110 -1.669810
C -1.333581 -0.040959 0.636922
C -2.135034 1.277405 0.762078
C -3.151778 1.241643 -0.448907
C -2.998639 -0.199094 -1.034661
C 0.608291 -1.204364 -0.229437
C 1.703167 -1.361765 -1.258291
C -2.269506 -0.214446 -2.406552
C 0.541995 1.201465 -0.792321
C 2.479467 -0.062285 -1.290136
H -1.087905 -0.456785 1.627752
H -1.518100 2.185495 0.760849
H -2.870419 2.007382 -1.189986
H -3.983787 -0.690257 -1.095543
H 0.006851 -2.084585 0.021798
H 1.206186 -1.544585 -2.234827
H 2.339816 -2.229950 -1.019027
H -1.514298 0.584001 -2.468395
H -3.025216 -0.031171 -3.198740
H -2.525431 1.655508 2.728105
H -4.517569 1.385415 0.971810
H -2.097983 -2.232690 -2.452135
H 4.307234 -0.979804 -1.646547
H 1.385726 -3.414566 2.957863
H 5.142661 1.269134 -0.815750
H 3.954568 1.857563 -1.884057


