%chk=000189438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189438

0 1
S 0.168495 -4.216459 -0.150134
N 0.047237 0.334036 -0.055964
C -2.385068 0.422773 -0.116120
C 2.473035 0.418698 -0.025589
C -1.124308 -0.359615 -0.090209
C 1.215889 -0.369965 -0.054379
C -2.764450 1.250923 0.960571
C 3.249544 0.498233 1.148920
C -1.169204 -1.770910 -0.116984
C 1.253262 -1.776848 -0.090461
C 0.037258 -2.466534 -0.117840
C -3.206960 0.320388 -1.249070
C 2.879488 1.088589 -1.187754
C -3.977715 1.955387 0.881345
C 4.443292 1.235891 1.125916
C -1.899436 1.385079 2.168949
C 2.807594 -0.181869 2.403020
C -4.407149 1.029606 -1.316100
C 4.070030 1.819344 -1.196788
C -4.791186 1.846484 -0.247375
C 4.851423 1.888820 -0.039607
C -1.519941 -4.845741 -0.170899
H -2.132015 -2.273266 -0.133908
H 2.210632 -2.295713 -0.102757
H -2.899957 -0.310253 -2.083255
H 2.257896 1.041800 -2.082435
H -4.282289 2.597210 1.705940
H 5.054206 1.303562 2.023841
H -0.937353 1.857828 1.898662
H -2.352645 1.997148 2.957126
H -1.657339 0.407164 2.607015
H 2.750882 -1.272515 2.270268
H 3.479350 0.006796 3.249648
H 1.804436 0.157723 2.703602
H -5.038708 0.950245 -2.197853
H 4.383843 2.336168 -2.101006
H -5.726846 2.401737 -0.296985
H 5.780200 2.457563 -0.044335
H -1.457091 -5.944014 -0.184010
H -2.071324 -4.529490 -1.064150
H -2.085911 -4.551404 0.720742


%chk=000189438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189438

0 1
S 0.103474 -4.353110 0.089978
N -0.010952 0.305169 0.102568
C -2.450636 0.393550 -0.161024
C 2.413219 0.436345 0.278945
C -1.184299 -0.388355 0.001155
C 1.169797 -0.394212 0.205440
C -2.732797 1.573881 0.599670
C 3.552264 0.102658 1.079848
C -1.229146 -1.811550 0.014712
C 1.200089 -1.810702 0.174240
C -0.017535 -2.529846 0.090858
C -3.399971 -0.062927 -1.116375
C 2.429081 1.635479 -0.487849
C -3.961233 2.243364 0.364225
C 4.671992 0.975938 1.051318
C -1.789140 2.117217 1.658155
C 3.618409 -1.109501 1.999288
C -4.612205 0.621510 -1.339394
C 3.553770 2.481376 -0.508946
C -4.894913 1.785674 -0.591783
C 4.689865 2.145109 0.262568
C -1.692119 -4.881368 -0.055608
H -2.198488 -2.314385 -0.017258
H 2.154543 -2.342228 0.187284
H -3.164011 -0.948448 -1.718145
H 1.531376 1.884711 -1.061896
H -4.186926 3.142510 0.950329
H 5.542228 0.732659 1.673457
H -0.867628 2.512829 1.199258
H -2.277965 2.918777 2.239156
H -1.463227 1.327242 2.358964
H 4.006219 -2.005360 1.475879
H 4.302490 -0.910824 2.842830
H 2.631288 -1.375101 2.413962
H -5.320326 0.256508 -2.091364
H 3.545168 3.392458 -1.117226
H -5.831269 2.332728 -0.749648
H 5.573978 2.792742 0.261230
H -1.669089 -5.981695 -0.073962
H -2.133681 -4.506306 -0.991811
H -2.270596 -4.539914 0.816573


