%chk=000186057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186057

0 1
N -2.735965 -3.626712 -0.000395
C 0.496857 0.021828 0.000100
C 1.939993 0.088976 0.000083
C -0.262867 1.203920 0.000014
C -0.152520 -1.267329 0.000163
C -1.703193 1.131565 0.000046
C 2.591716 1.348512 -0.000063
C 2.723049 -1.106073 0.000193
C -2.342248 -0.135245 0.000045
C -1.539965 -1.330652 0.000054
C 0.426836 2.473538 -0.000119
C 0.683535 -2.463965 0.000336
C 1.785122 2.545614 -0.000164
C 2.031712 -2.389042 0.000342
C 4.005569 1.402341 -0.000108
C 4.114663 -1.021383 0.000147
C -2.514843 2.308923 0.000103
C -3.771852 -0.195342 0.000082
C 4.750919 0.233271 -0.000006
C -3.885683 2.225932 0.000154
C -4.522728 0.954630 0.000142
C -2.201672 -2.600054 -0.000059
H -0.178493 3.383312 -0.000192
H 0.178207 -3.432790 0.000475
H 2.297592 3.508328 -0.000281
H 2.648398 -3.289687 0.000481
H 4.503614 2.371346 -0.000239
H 4.719820 -1.927608 0.000242
H -2.021969 3.283494 0.000096
H -4.263537 -1.169748 0.000072
H 5.840009 0.278357 -0.000038
H -4.500197 3.125119 0.000214
H -5.611779 0.908724 0.000181


%chk=000186057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186057

0 1
N -2.754324 -3.679539 -0.004116
C 0.511040 0.026924 0.000237
C 1.951251 0.087608 0.000133
C -0.266111 1.234538 0.000060
C -0.142560 -1.269517 0.000508
C -1.718763 1.159717 0.000155
C 2.623149 1.362001 -0.000148
C 2.736768 -1.121890 0.000306
C -2.366130 -0.133937 0.000435
C -1.560541 -1.332764 0.000620
C 0.436499 2.493579 -0.000229
C 0.672512 -2.467948 0.000675
C 1.821373 2.557415 -0.000324
C 2.050183 -2.397145 0.000581
C 4.047790 1.407447 -0.000250
C 4.151920 -1.036151 0.000198
C -2.549953 2.327156 -0.000005
C -3.798289 -0.207287 0.000526
C 4.801974 0.220160 -0.000076
C -3.943646 2.231440 0.000092
C -4.575511 0.951026 0.000361
C -2.210562 -2.612868 0.001028
H -0.130571 3.427744 -0.000372
H 0.168392 -3.440002 0.000886
H 2.326897 3.529966 -0.000539
H 2.650617 -3.314068 0.000717
H 4.550584 2.381263 -0.000469
H 4.742615 -1.959350 0.000330
H -2.094439 3.321011 -0.000209
H -4.277476 -1.192118 0.000741
H 5.895944 0.266907 -0.000157
H -4.554361 3.140477 -0.000036
H -5.668168 0.880305 0.000443


