%chk=000178676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178676

0 1
S -0.184357 -0.578067 -0.086718
S -0.963190 3.568404 0.081386
S 1.653705 1.813132 -0.063428
S -3.982216 3.374496 0.175241
N -2.247853 1.322168 0.035938
N 2.430863 -0.851393 -0.169142
C -0.876024 1.020767 -0.018728
C -3.267515 0.288892 0.012937
C -0.044152 2.101393 -0.004058
C -2.517950 2.687629 0.098908
C -4.029185 0.047500 1.166314
C -3.476263 -0.442729 -1.166325
C -5.218505 -1.703790 -0.031321
C 1.516246 0.015214 -0.118682
C -5.002064 -0.951576 1.135834
C -4.449914 -1.440909 -1.178630
C 3.840369 -0.628845 -0.220167
C 4.632459 -0.960008 0.906134
C -6.271513 -2.761167 -0.059227
C 4.432619 -0.194425 -1.418339
C 6.024667 -0.840560 0.795432
C 4.002251 -1.412062 2.179800
C 5.822100 -0.089949 -1.500724
C 6.615868 -0.410842 -0.395724
H -3.870263 0.637652 2.070263
H -2.892079 -0.231389 -2.062719
H -5.601516 -1.142734 2.025456
H -4.618538 -2.014472 -2.089457
H -6.030670 -3.576483 -0.755059
H -6.432916 -3.219836 0.925990
H -7.236914 -2.338229 -0.379581
H 3.811520 0.049188 -2.279467
H 6.653999 -1.087761 1.649828
H 3.437630 -0.596757 2.656567
H 3.288602 -2.233408 2.002439
H 4.734824 -1.773139 2.912407
H 6.285086 0.243009 -2.428400
H 7.699591 -0.326817 -0.461977


%chk=000178676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178676

0 1
S -0.203781 -0.453551 -0.108927
S -1.167511 3.757487 -0.736221
S 1.603978 2.070630 -0.622048
S -4.266835 3.452419 -0.513079
N -2.357991 1.421882 -0.322454
N 2.508398 -0.581118 0.044730
C -0.974404 1.157827 -0.396969
C -3.332233 0.359797 -0.133249
C -0.180093 2.251763 -0.608413
C -2.727134 2.769484 -0.489046
C -4.181314 0.376665 0.994097
C -3.412883 -0.686741 -1.078398
C -5.211861 -1.734305 0.241906
C 1.536699 0.204657 -0.185057
C -5.111677 -0.666612 1.172954
C -4.344411 -1.728194 -0.880339
C 3.910068 -0.432598 -0.006508
C 4.687682 -1.310993 0.814363
C -6.240068 -2.835223 0.427711
C 4.549857 0.506992 -0.863635
C 6.096247 -1.196810 0.761955
C 4.010213 -2.314974 1.723716
C 5.956192 0.591395 -0.900864
C 6.734158 -0.257529 -0.081049
H -4.114144 1.196968 1.714103
H -2.765307 -0.681080 -1.961610
H -5.768899 -0.653020 2.050108
H -4.402564 -2.540662 -1.613767
H -5.911289 -3.781444 -0.035866
H -6.440001 -3.027437 1.496285
H -7.203673 -2.556112 -0.041007
H 3.951863 1.143011 -1.525641
H 6.702018 -1.859942 1.390571
H 3.476797 -1.809392 2.550430
H 3.250087 -2.897205 1.173344
H 4.745129 -3.009843 2.164354
H 6.439989 1.311380 -1.569557
H 7.827501 -0.195480 -0.103920


