%chk=000191513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191513

0 1
S 2.513420 -3.050733 0.399480
N -4.139407 -0.079251 -0.559386
C -1.438295 -0.033203 0.520547
C -0.092499 -0.020049 0.600048
C -2.261682 -1.292595 0.532470
C -2.267998 1.219818 0.433416
C 2.366044 -0.841957 -1.301947
C -3.286725 -1.311767 -0.615930
C -3.290448 1.147514 -0.714149
C 1.573792 0.429327 -1.696114
C 0.742357 -1.227385 0.709005
C 0.714991 1.222798 0.537186
C 1.773939 -1.549418 -0.129252
C 1.543987 1.441732 -0.585441
C 2.465228 -1.777377 -2.515450
C 0.564213 -2.182842 1.793537
C 0.691302 2.154051 1.582187
C -5.185962 -0.123535 -1.624452
C 2.326413 2.600778 -0.646073
C 1.438337 -3.219136 1.760955
C 1.477255 3.308731 1.510457
C 2.291149 3.532066 0.397417
H -1.633417 -2.202933 0.461924
H -2.796061 -1.357480 1.505375
H -2.805092 1.352752 1.398374
H -1.644159 2.126484 0.303013
H 3.403801 -0.515258 -1.013370
H -2.757551 -1.429572 -1.586160
H -3.952331 -2.194086 -0.497891
H -3.958549 2.034561 -0.667087
H -2.760753 1.189320 -1.690235
H 0.535626 0.148589 -1.975461
H 2.018811 0.864547 -2.612288
H 2.848632 -1.251127 -3.396331
H 3.140706 -2.620464 -2.327645
H 1.487542 -2.197515 -2.780427
H -0.198889 -2.032603 2.545930
H 0.065000 1.972191 2.453891
H -5.828586 -1.003141 -1.458020
H -4.802642 -0.164124 -2.654290
H -5.831270 0.764612 -1.528708
H 2.969377 2.779500 -1.505508
H 1.523858 -4.051703 2.435905
H 1.456348 4.029760 2.324879
H 2.903491 4.429824 0.341720


%chk=000191513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191513

0 1
S 2.646020 -3.109233 0.459884
N -4.190133 -0.071234 -0.548498
C -1.471241 -0.036080 0.546080
C -0.095810 -0.026176 0.541016
C -2.312253 -1.305167 0.545898
C -2.322255 1.224509 0.481765
C 2.473293 -0.869380 -1.313211
C -3.350529 -1.287930 -0.604782
C -3.360199 1.148513 -0.665114
C 1.686278 0.414752 -1.717616
C 0.732299 -1.271546 0.657290
C 0.707525 1.243103 0.479044
C 1.848128 -1.579569 -0.125039
C 1.599423 1.453182 -0.613750
C 2.611456 -1.808304 -2.543679
C 0.514426 -2.237211 1.726305
C 0.641808 2.209229 1.514516
C -5.291169 -0.100243 -1.529991
C 2.389610 2.627355 -0.647973
C 1.431750 -3.264998 1.768545
C 1.437890 3.375375 1.473705
C 2.316205 3.587457 0.387020
H -1.686609 -2.207771 0.447747
H -2.872982 -1.378094 1.500388
H -2.884298 1.331816 1.432246
H -1.703647 2.127847 0.351650
H 3.495619 -0.547713 -1.018108
H -2.806812 -1.364962 -1.584110
H -4.007956 -2.173764 -0.520077
H -4.024777 2.031890 -0.620477
H -2.819620 1.183519 -1.648499
H 0.669750 0.109615 -2.036116
H 2.190476 0.847417 -2.602082
H 3.103226 -1.275250 -3.378670
H 3.214933 -2.702798 -2.307637
H 1.617456 -2.150513 -2.885212
H -0.291282 -2.127351 2.456399
H -0.027941 2.032301 2.363933
H -5.919707 -0.992531 -1.357774
H -4.939401 -0.126112 -2.593246
H -5.925909 0.795285 -1.403636
H 3.065801 2.791342 -1.496397
H 1.501219 -4.099740 2.463172
H 1.376418 4.109205 2.285179
H 2.936825 4.489658 0.346013


