%chk=000091569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000091569

1 1
N -3.853700 -1.154593 0.103880
N -3.560379 1.038736 -0.114469
N 4.872345 -0.144618 -0.087317
N -4.911384 0.836996 -0.080356
N -1.500440 -0.520668 0.016760
N -0.662168 0.455008 -0.087935
C -2.859934 -0.172311 -0.003072
C 3.521668 -0.032043 -0.084137
C 2.881397 1.258790 -0.204192
C 2.674326 -1.198183 0.039281
C 0.676725 0.204927 -0.077535
C -5.104091 -0.490825 0.052013
C 1.520765 1.369584 -0.200804
C 1.315902 -1.082270 0.042125
C -3.647965 -2.601116 0.243682
C -2.998152 2.391045 -0.253264
C 5.757711 1.036820 -0.212657
C 5.578939 -1.439869 0.032595
H 3.491820 2.156827 -0.298772
H 3.141336 -2.182230 0.131040
H -6.068732 -0.993795 0.111597
H 1.041079 2.350546 -0.292121
H 0.678367 -1.968622 0.135812
H -4.108875 -3.146538 -0.603794
H -2.564459 -2.849312 0.256597
H -4.089807 -2.970425 1.190552
H -2.358618 2.634701 0.619516
H -2.377589 2.458943 -1.169986
H -3.808365 3.148500 -0.319074
H 5.582516 1.569387 -1.167052
H 6.824150 0.745615 -0.195569
H 5.601768 1.744965 0.623640
H 6.209917 -1.622788 -0.858617
H 4.881961 -2.295332 0.124337
H 6.229167 -1.446850 0.928696


%chk=000091569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091569

1 1
N -3.817484 -1.157371 0.105532
N -3.552813 1.019807 -0.111172
N 4.878632 -0.194461 -0.081484
N -4.941922 0.798630 -0.070268
N -1.514445 -0.481900 0.008822
N -0.692078 0.584624 -0.105191
C -2.844063 -0.163726 -0.005310
C 3.511110 -0.054443 -0.083886
C 2.917802 1.259750 -0.207136
C 2.613625 -1.188496 0.034406
C 0.656173 0.293401 -0.091494
C -5.056708 -0.531985 0.061432
C 1.539060 1.420106 -0.210360
C 1.237994 -1.019646 0.030907
C -3.550209 -2.601732 0.242992
C -3.060284 2.398593 -0.253668
C 5.759555 0.991481 -0.204194
C 5.593289 -1.483036 0.039474
H 3.550995 2.143960 -0.299142
H 3.009826 -2.201652 0.128897
H -6.008308 -1.051574 0.125657
H 1.093988 2.415789 -0.303938
H 0.573684 -1.883468 0.121527
H -3.994448 -3.150371 -0.603057
H -2.459904 -2.743604 0.241528
H -3.969266 -2.975173 1.191206
H -2.431908 2.669803 0.608204
H -2.458227 2.495415 -1.169909
H -3.946212 3.047897 -0.304408
H 5.586071 1.520333 -1.158657
H 6.808080 0.660919 -0.180238
H 5.600458 1.695138 0.632622
H 6.228093 -1.644110 -0.850696
H 4.904883 -2.331114 0.128426
H 6.242163 -1.468782 0.933978


