%chk=000237763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237763

0 1
S 1.186922 0.661618 2.381598
O 1.910042 -0.370801 -0.950699
O 4.684455 2.273322 1.651312
N 3.015909 1.132980 0.466618
C -4.932165 -0.479291 0.112650
C -3.841554 0.343120 0.812330
C -6.277913 0.258389 0.113887
C -2.496672 -0.395453 0.811516
C -7.368729 -0.563443 -0.586137
C -1.405017 0.430748 1.510246
C -8.714321 0.174106 -0.584652
C -0.077805 -0.313152 1.511114
C -9.806626 -0.646901 -1.284500
C 1.850842 1.764913 1.085782
C -11.148258 0.082631 -1.286054
C 4.361551 -0.351755 -0.728164
C 5.215772 0.452830 0.077400
C 2.935768 0.052523 -0.483414
C 4.377465 1.414712 0.869433
C 4.872145 -1.322716 -1.561806
C 6.583568 0.288969 0.053196
C 6.277315 -1.493894 -1.588764
C 7.111204 -0.708845 -0.801565
H -4.626260 -0.702154 -0.927837
H -5.041317 -1.461680 0.611292
H -4.148181 0.566841 1.852511
H -3.732726 1.325137 0.312659
H -6.584282 0.481093 1.154189
H -6.169209 1.240855 -0.384713
H -2.606187 -1.376743 1.312081
H -2.190475 -0.619968 -0.229036
H -7.062649 -0.785846 -1.626557
H -7.477599 -1.545937 -0.087698
H -1.301813 1.411272 1.004152
H -1.718798 0.663574 2.548630
H -8.607165 1.156731 -1.082867
H -9.021724 0.397320 0.455035
H 0.259335 -0.554284 0.479848
H -0.151915 -1.278597 2.050023
H -9.916434 -1.629588 -0.785476
H -9.501160 -0.869203 -2.325666
H 2.157576 2.715432 1.586266
H 1.078794 1.992513 0.319031
H -11.498771 0.284851 -0.267584
H -11.083797 1.044757 -1.806797
H -11.921072 -0.510625 -1.787281
H 4.221105 -1.941477 -2.180726
H 7.241602 0.902815 0.669876
H 6.702714 -2.258323 -2.241169
H 8.192010 -0.856474 -0.834915


%chk=000237763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237763

0 1
S 1.311838 0.656561 2.832874
O 1.761026 -0.287665 -0.887853
O 4.836868 2.084295 1.781444
N 3.032205 1.052266 0.617724
C -4.914483 -0.480691 0.282581
C -3.795719 0.387485 0.901417
C -6.230330 0.291630 0.037627
C -2.484142 -0.396239 1.135800
C -7.350517 -0.590564 -0.558961
C -1.371721 0.463348 1.784274
C -8.670026 0.173915 -0.808835
C -0.078626 -0.340376 1.995087
C -9.790217 -0.716743 -1.394041
C 1.939267 1.670361 1.357562
C -11.106392 0.052181 -1.640067
C 4.251516 -0.281624 -0.852758
C 5.178231 0.422098 -0.044766
C 2.866492 0.105053 -0.436706
C 4.415679 1.289448 0.908213
C 4.677358 -1.173099 -1.848557
C 6.561882 0.258274 -0.206201
C 6.075716 -1.347550 -2.018813
C 7.003423 -0.643133 -1.210019
H -4.557061 -0.908618 -0.677411
H -5.117133 -1.344346 0.950423
H -4.149556 0.809366 1.865226
H -3.592716 1.253747 0.237693
H -6.581415 0.731586 0.994612
H -6.034052 1.146199 -0.643370
H -2.694212 -1.273228 1.783502
H -2.120096 -0.801064 0.169048
H -6.997854 -1.033677 -1.514006
H -7.545967 -1.443548 0.124585
H -1.166714 1.340662 1.137177
H -1.721862 0.863710 2.755684
H -8.479423 1.022131 -1.499480
H -9.021298 0.622845 0.144000
H 0.318846 -0.725792 1.041790
H -0.240642 -1.190807 2.681461
H -9.978183 -1.564001 -0.703163
H -9.438463 -1.164939 -2.345891
H 2.304261 2.617783 1.781702
H 1.091621 1.844553 0.677433
H -11.495967 0.481992 -0.697810
H -10.949915 0.887638 -2.348628
H -11.889384 -0.605521 -2.060667
H 3.951993 -1.711061 -2.466800
H 7.268474 0.807838 0.423417
H 6.446394 -2.036656 -2.785110
H 8.076493 -0.799123 -1.363839


