%chk=000179867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179867

0 1
O 5.001106 2.133451 0.015261
N 4.815226 -0.082457 0.472118
C 3.506684 0.136727 1.145917
C 2.316766 -0.106362 0.202795
C 5.184403 -1.495639 0.195480
C 0.988024 0.128715 0.931206
C -0.208656 -0.116294 0.001994
C 6.669855 -1.628440 -0.163858
C -1.539445 0.117241 0.729790
C 7.029652 -0.652960 -1.287428
C -2.736536 -0.128823 -0.198479
C 6.779511 0.784982 -0.837533
C -4.067503 0.104379 0.529154
C 5.461951 1.006451 -0.120950
C -5.264758 -0.141720 -0.398913
C -6.595833 0.091124 0.328660
C -7.792850 -0.155009 -0.599347
C -9.125123 0.077576 0.127251
C -10.320191 -0.165835 -0.791875
H 3.483787 1.191828 1.518456
H 3.449877 -0.525076 2.035920
H 2.349774 -1.132310 -0.207456
H 2.395429 0.573068 -0.670534
H 4.553469 -1.891537 -0.633532
H 4.954282 -2.105503 1.098246
H 0.917514 -0.531110 1.817141
H 0.952496 1.165653 1.321061
H -0.173179 -1.148388 -0.396139
H -0.140956 0.550008 -0.880190
H 7.297661 -1.428993 0.727558
H 6.888580 -2.669961 -0.465205
H -1.606997 -0.544560 1.614528
H -1.575906 1.151529 1.123756
H 8.089159 -0.777086 -1.583128
H 6.432827 -0.877456 -2.193762
H -2.700235 -1.161847 -0.594571
H -2.669863 0.535157 -1.082028
H 7.587960 1.126413 -0.154548
H 6.821365 1.480410 -1.703037
H -4.134447 -0.558180 1.413445
H -4.104134 1.138106 0.924012
H -5.228247 -1.174865 -0.794812
H -5.198344 0.521868 -1.282644
H -6.632468 1.124635 0.723888
H -6.662376 -0.571850 1.212701
H -7.727808 0.507727 -1.483572
H -7.757619 -1.187853 -0.995758
H -9.162462 1.111628 0.522414
H -9.192456 -0.586292 1.011243
H -11.265865 0.002740 -0.264877
H -10.304476 0.503164 -1.659774
H -10.334619 -1.193773 -1.171447


%chk=000179867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179867

0 1
O 5.140388 2.158973 0.136607
N 4.889568 -0.135302 0.439518
C 3.578763 0.082862 1.094058
C 2.376261 -0.062697 0.131419
C 5.281126 -1.543616 0.187261
C 1.029210 0.163853 0.852732
C -0.194342 -0.018729 -0.073538
C 6.776919 -1.694282 -0.135398
C -1.542129 0.206945 0.647889
C 7.175968 -0.687522 -1.232084
C -2.771421 -0.033024 -0.257119
C 6.936206 0.746939 -0.718118
C -4.116909 0.190376 0.469473
C 5.583508 0.976204 -0.031217
C -5.349966 -0.095595 -0.416805
C -6.693244 0.124757 0.315088
C -7.928703 -0.187671 -0.558884
C -9.270340 0.029932 0.177725
C -10.500265 -0.292517 -0.698200
H 3.589458 1.104438 1.511672
H 3.483521 -0.640784 1.928732
H 2.377553 -1.071289 -0.330788
H 2.490773 0.672619 -0.688128
H 4.680796 -1.953992 -0.653508
H 5.020242 -2.133900 1.087783
H 0.943994 -0.539228 1.708564
H 1.013595 1.185572 1.285247
H -0.177249 -1.042182 -0.504190
H -0.113449 0.681082 -0.930964
H 7.379982 -1.511263 0.775313
H 6.968854 -2.734901 -0.457089
H -1.601796 -0.466615 1.528828
H -1.575346 1.242343 1.046737
H 8.235462 -0.815947 -1.521365
H 6.568256 -0.872584 -2.140337
H -2.737166 -1.070440 -0.651723
H -2.715182 0.636897 -1.140601
H 7.715415 1.020714 0.021286
H 7.006485 1.492961 -1.528797
H -4.156982 -0.458245 1.369986
H -4.164642 1.236216 0.838969
H -5.301170 -1.142389 -0.784008
H -5.313117 0.551093 -1.318578
H -6.750000 1.176002 0.667893
H -6.720642 -0.509485 1.226244
H -7.905416 0.446295 -1.470214
H -7.872644 -1.239084 -0.911572
H -9.327724 1.081649 0.525775
H -9.289667 -0.600098 1.090662
H -11.445237 -0.130739 -0.147323
H -10.522166 0.346295 -1.601499
H -10.481382 -1.346497 -1.034815


