%chk=000096388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000096388

0 1
N 0.664943 -1.968275 -0.357543
N -3.198493 -0.045491 -0.409046
C -0.872776 -0.398956 0.265557
C 0.422748 0.238445 0.221587
C 1.370763 -0.768038 -0.170395
C -2.160937 0.250007 0.634237
C -0.698451 -1.729095 -0.087428
C 0.881536 1.544931 0.471974
C 2.744855 -0.486898 -0.311745
C 2.231710 1.817501 0.331389
C 3.153633 0.809941 -0.056646
C -4.380133 0.850492 -0.271116
H -2.534532 -0.171503 1.598720
H -2.009460 1.339344 0.806701
H -1.441711 -2.504479 -0.170685
H 1.060044 -2.843809 -0.635445
H 0.178257 2.318564 0.770348
H 3.445319 -1.259719 -0.607735
H -2.785697 0.083506 -1.340975
H 2.607996 2.820691 0.519650
H 4.205491 1.076176 -0.152241
H -4.856465 0.683660 0.708963
H -5.120056 0.572450 -1.039813
H -4.166183 1.924953 -0.369610


%chk=000096388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096388

0 1
N 0.616041 -1.875478 -0.458310
N -3.277350 -0.060365 -0.364655
C -0.855524 -0.212625 0.087753
C 0.494607 0.319190 0.165422
C 1.399070 -0.748753 -0.182290
C -2.140012 0.523576 0.379582
C -0.740363 -1.549276 -0.293732
C 1.033054 1.592572 0.494639
C 2.800698 -0.576159 -0.207974
C 2.429850 1.770962 0.469797
C 3.304813 0.698261 0.122779
C -4.580262 0.565423 -0.078956
H -2.385580 0.459370 1.460765
H -1.994770 1.614624 0.165919
H -1.531575 -2.279210 -0.448153
H 0.970879 -2.784685 -0.744690
H 0.373702 2.424631 0.767016
H 3.476933 -1.396926 -0.473187
H -3.072716 -0.105380 -1.371745
H 2.858037 2.747800 0.721322
H 4.387260 0.868822 0.114428
H -4.849038 0.393157 0.980267
H -5.362572 0.095653 -0.701098
H -4.612783 1.669213 -0.256195


