%chk=000178351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178351

0 1
S 0.710060 -4.144558 0.511365
F 6.314999 2.891111 0.686346
F 5.127271 2.155557 2.269126
F 6.097030 0.809823 0.956273
F -7.540884 0.706798 0.600943
F -6.840924 2.443736 -0.372641
F -7.343202 0.725099 -1.499823
N -0.256380 0.221374 -0.333137
C 1.046896 -0.168836 -0.273554
C -1.223930 -0.716814 -0.114366
C 2.064280 0.887486 -0.498486
C -2.630173 -0.241375 -0.171085
C 0.422890 -2.446349 0.189882
C 1.428195 -1.503884 -0.018871
C -0.924187 -2.064852 0.149339
C 3.207884 0.941372 0.311018
C 4.173449 1.932729 0.085405
C 2.518761 -4.363303 0.524524
C -3.532681 -0.608419 0.838952
C -3.058294 0.572500 -1.231576
C 1.881392 1.840414 -1.515213
C -5.286666 0.626539 -0.281987
C 2.751433 -5.845021 0.805374
C -4.859481 -0.174913 0.784535
C -4.384450 1.003680 -1.288546
C 3.996997 2.875921 -0.935198
C 2.847542 2.825317 -1.730054
C 5.392272 1.956626 0.966119
C 4.245824 -6.160917 0.844332
C -6.709397 1.105377 -0.375757
H 2.482001 -1.769368 -0.003556
H -1.725241 -2.787827 0.304983
H 3.335896 0.218877 1.120411
H 2.981196 -3.730252 1.304609
H 2.953429 -4.066697 -0.448274
H -3.199107 -1.223934 1.675526
H -2.348378 0.875689 -2.003941
H 0.976496 1.811029 -2.127948
H 2.287404 -6.137837 1.771201
H 2.261956 -6.471844 0.029926
H -5.547199 -0.468071 1.580212
H -4.710001 1.635961 -2.117584
H 4.740339 3.653873 -1.119412
H 2.703794 3.563725 -2.519818
H 4.762680 -5.595924 1.629093
H 4.416085 -7.225787 1.046104
H 4.737725 -5.928728 -0.107570


%chk=000178351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178351

0 1
S 0.650732 -4.257531 0.768675
F 6.641175 2.181361 -0.700777
F 5.878909 2.189001 1.429888
F 6.088256 0.226745 0.319654
F -7.746030 0.384457 0.008293
F -6.949188 2.512216 0.075837
F -7.144502 1.433415 -1.905386
N -0.330156 0.158023 -0.322633
C 0.977418 -0.229935 -0.231607
C -1.315012 -0.767851 -0.087376
C 1.998579 0.827755 -0.500412
C -2.721379 -0.276845 -0.197074
C 0.340339 -2.516253 0.339897
C 1.351960 -1.563928 0.081744
C -1.014297 -2.106830 0.261201
C 3.342353 0.696406 -0.071062
C 4.281906 1.711577 -0.351966
C 2.544215 -4.354999 0.840667
C -3.824333 -1.164151 -0.323756
C -2.973894 1.121413 -0.174647
C 1.620021 2.004993 -1.200568
C -5.371674 0.722959 -0.389159
C 2.947388 -5.782078 1.253341
C -5.139174 -0.671997 -0.420870
C -4.284845 1.621054 -0.268850
C 3.903395 2.876864 -1.058986
C 2.563288 3.014395 -1.479683
C 5.688467 1.577916 0.155223
C 4.484748 -5.927207 1.323963
C -6.767636 1.250434 -0.540359
H 2.406216 -1.846231 0.097538
H -1.811922 -2.819265 0.488482
H 3.667394 -0.180887 0.495685
H 2.898239 -3.614392 1.579246
H 2.943158 -4.106350 -0.158305
H -3.666186 -2.245991 -0.370477
H -2.119773 1.796897 -0.080057
H 0.577738 2.099451 -1.518109
H 2.502799 -6.023121 2.237584
H 2.536883 -6.508835 0.526483
H -5.980335 -1.365340 -0.516885
H -4.468465 2.699233 -0.236142
H 4.642915 3.652536 -1.280160
H 2.257509 3.909901 -2.029889
H 4.920320 -5.233122 2.066345
H 4.764684 -6.954344 1.617770
H 4.953396 -5.716413 0.344876


