%chk=000217895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217895

0 1
S 0.982613 -1.034585 1.665229
S -4.317020 -0.851608 -1.691253
N 1.331975 1.301038 -0.570027
N 2.035496 4.085086 -0.093251
C 0.735583 0.166761 -1.358232
C 0.291624 2.317876 -0.194544
C 2.417982 1.982046 -1.354001
C 0.940708 3.409497 0.679340
C 3.070727 3.068761 -0.476497
C 1.753936 -0.983227 -1.575943
C -0.479806 -0.408906 -0.655663
C 2.804870 -1.134339 -0.516948
C -0.405562 -1.022028 0.598591
C 2.652526 5.173234 0.723162
C -1.715615 -0.370283 -1.323152
C 2.533882 -1.163955 0.852619
C -2.844840 -0.944323 -0.734693
C -1.540916 -1.608143 1.178730
C 4.144903 -1.274822 -0.937434
C -2.766973 -1.568455 0.512685
C 3.571095 -1.314682 1.790786
C 5.175111 -1.431941 -0.013985
C 4.888081 -1.448450 1.357523
C -5.679300 -1.334874 -0.593593
C -6.016484 -0.228832 0.414613
C -6.952331 -0.790375 1.495899
C -6.658730 0.978797 -0.275282
H 0.420082 0.519755 -2.381660
H -0.503528 1.815374 0.398226
H -0.194145 2.782776 -1.079546
H 2.045717 2.436864 -2.297762
H 3.190254 1.230687 -1.623301
H 0.176237 4.171792 0.938536
H 1.297623 2.956967 1.631008
H 3.556918 2.591479 0.403017
H 3.864422 3.581947 -1.058720
H 2.231672 -0.840312 -2.567974
H 1.200549 -1.945937 -1.668337
H 3.111455 4.844101 1.667002
H 3.423324 5.679174 0.120292
H 1.881960 5.925414 0.956071
H -1.787516 0.113129 -2.299038
H -1.474929 -2.102408 2.151043
H 4.377578 -1.261122 -2.000897
H -3.641066 -2.029535 0.970204
H 3.355466 -1.329847 2.861331
H 6.202598 -1.541020 -0.355217
H 5.691295 -1.566939 2.081706
H -6.539041 -1.542007 -1.263538
H -5.447537 -2.289632 -0.086741
H -5.073103 0.111317 0.914941
H -6.489304 -1.615439 2.046300
H -7.213013 -0.017569 2.228367
H -7.891769 -1.159425 1.070476
H -5.996127 1.402630 -1.040839
H -6.874150 1.777166 0.443209
H -7.601759 0.718255 -0.766737


%chk=000217895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217895

0 1
S 1.024370 -0.806290 1.830507
S -4.381323 -0.795609 -1.779048
N 1.369060 1.447046 -0.590033
N 2.194027 4.196899 -0.122351
C 0.758566 0.297559 -1.307389
C 0.386009 2.500901 -0.228359
C 2.504973 2.050268 -1.332471
C 1.059488 3.593137 0.615787
C 3.174177 3.149572 -0.491965
C 1.791891 -0.849240 -1.564361
C -0.471711 -0.261091 -0.594208
C 2.823184 -1.140209 -0.478773
C -0.418746 -0.844210 0.699996
C 2.815817 5.312464 0.614610
C -1.703599 -0.276885 -1.287621
C 2.579722 -1.188355 0.920871
C -2.879054 -0.833603 -0.724541
C -1.587926 -1.405860 1.265599
C 4.145405 -1.434047 -0.917760
C -2.814903 -1.397946 0.569898
C 3.629722 -1.512587 1.822298
C 5.190733 -1.759008 -0.030922
C 4.928039 -1.795112 1.357139
C -5.742230 -1.411189 -0.616024
C -6.208519 -0.378924 0.435914
C -7.142897 -1.076864 1.456833
C -6.912763 0.826466 -0.225613
H 0.404895 0.620949 -2.323890
H -0.431642 2.045898 0.356238
H -0.059758 2.971418 -1.141742
H 2.162262 2.492688 -2.303453
H 3.257011 1.272864 -1.549211
H 0.322094 4.386169 0.843034
H 1.393152 3.139306 1.583860
H 3.630037 2.674195 0.414192
H 3.987293 3.615010 -1.080908
H 2.345475 -0.622894 -2.494261
H 1.206153 -1.764192 -1.781054
H 3.264843 5.002843 1.593197
H 3.615518 5.764747 0.000368
H 2.058797 6.091400 0.818162
H -1.742365 0.166890 -2.290168
H -1.535299 -1.866287 2.258159
H 4.347299 -1.404280 -1.996342
H -3.691642 -1.850597 1.042113
H 3.419302 -1.550168 2.897568
H 6.192239 -1.979642 -0.415239
H 5.719875 -2.044893 2.071594
H -6.567801 -1.665085 -1.306105
H -5.392073 -2.350625 -0.152963
H -5.316793 -0.006384 0.978368
H -6.632238 -1.907291 1.980460
H -7.490440 -0.357032 2.220136
H -8.037856 -1.490439 0.953121
H -6.255967 1.310532 -0.970249
H -7.190919 1.581211 0.532294
H -7.839269 0.503307 -0.739189


