%chk=000186751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186751

0 1
N 0.210415 1.391235 0.341130
N -4.305139 -0.112391 -0.350713
C -2.098358 0.402506 0.659379
C -0.622678 0.253604 0.432384
C -2.867492 -0.537137 -0.306365
C 1.514479 -0.480824 0.100400
C 0.147677 -0.890151 0.286540
C 1.536259 0.954659 0.141924
C -2.434020 0.096193 2.122881
C 2.718117 -1.180653 -0.096728
C 2.729395 1.684103 -0.007978
C 3.896920 -0.460241 -0.244908
C -5.190502 -1.275713 -0.655932
C -4.511360 0.970368 -1.358852
C 3.895312 0.964267 -0.199656
C 5.200722 -1.163962 -0.455608
H -2.412475 1.457425 0.443509
H -2.379601 -0.533308 -1.304584
H -2.794148 -1.580534 0.067988
H -0.193227 -1.903222 0.311335
H -0.079388 2.342867 0.440097
H -3.521311 0.141475 2.279060
H -1.962430 0.812073 2.803135
H -2.099833 -0.905465 2.416122
H 2.708246 -2.266282 -0.128981
H 2.730085 2.768270 0.026443
H -6.239648 -0.938650 -0.649287
H -5.088976 -2.022174 0.148450
H -4.994357 -1.770162 -1.618193
H -4.317062 0.677307 -2.400996
H -3.859307 1.823335 -1.113314
H -5.551445 1.327249 -1.288007
H 4.840480 1.490190 -0.319554
H 5.092277 -2.255658 -0.478378
H 5.664163 -0.866094 -1.406274
H 5.913514 -0.927707 0.346631


%chk=000186751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186751

0 1
N 0.327908 1.344758 0.617103
N -4.358310 -0.312868 -0.262362
C -2.083481 0.611630 0.345724
C -0.596638 0.365389 0.200665
C -2.896032 -0.552600 -0.278918
C 1.534067 -0.425206 -0.174893
C 0.122128 -0.729440 -0.290107
C 1.635095 0.889517 0.401414
C -2.494107 0.829339 1.828243
C 2.726198 -1.126089 -0.499864
C 2.881061 1.502127 0.653071
C 3.982971 -0.531965 -0.256204
C -5.133708 -1.565314 -0.370977
C -4.796563 0.687315 -1.256590
C 4.042751 0.778208 0.319344
C 5.273829 -1.261626 -0.595620
H -2.330137 1.541025 -0.212821
H -2.522971 -0.743404 -1.317452
H -2.696941 -1.466951 0.312475
H -0.308985 -1.646015 -0.688376
H 0.075825 2.238031 1.034383
H -3.592644 0.914591 1.890015
H -2.041708 1.743951 2.255842
H -2.172466 -0.028806 2.446542
H 2.673371 -2.129289 -0.939887
H 2.952488 2.504006 1.091888
H -6.211434 -1.344551 -0.265904
H -4.845639 -2.253941 0.442936
H -4.987400 -2.099512 -1.344654
H -4.592663 0.373902 -2.312651
H -4.289646 1.652525 -1.085186
H -5.883078 0.858014 -1.153479
H 5.025754 1.229214 0.504109
H 5.072647 -2.257698 -1.027031
H 5.878509 -0.695037 -1.329573
H 5.905250 -1.406431 0.301896


