%chk=000021661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021661

0 1
N -2.082585 0.879200 -0.404255
N -3.021326 -0.921119 0.701434
C -0.704681 -0.242481 1.396395
C -1.962621 -0.134190 0.558914
C -3.340958 0.678909 -1.162764
C -4.052642 -0.412247 -0.273005
C 0.585182 -0.195970 0.578393
C 1.578643 0.778307 0.841615
C 0.813948 -1.143357 -0.453519
C 2.790321 0.831179 0.103629
C 2.014255 -1.108291 -1.194294
C 2.996904 -0.129478 -0.918201
C 3.829352 1.902456 0.390439
H -0.785167 -1.189624 1.957886
H -0.702356 0.577357 2.140368
H -3.139154 0.309450 -2.189357
H -3.927757 1.611714 -1.235183
H -4.894929 0.022569 0.297631
H -4.449425 -1.250880 -0.870697
H -1.273012 1.364233 -0.790231
H 1.409069 1.509471 1.643749
H 0.054309 -1.906066 -0.664355
H 2.190276 -1.847567 -1.984259
H 3.929545 -0.112821 -1.495569
H 4.851014 1.541929 0.176638
H 3.660755 2.800178 -0.236092
H 3.795640 2.228040 1.445091


%chk=000021661-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000021661

0 1
N -2.056899 0.899950 -0.410350
N -3.022863 -0.896686 0.667110
C -0.725551 -0.235276 1.414700
C -1.964800 -0.117068 0.551420
C -3.297475 0.709046 -1.198703
C -4.029652 -0.385690 -0.331765
C 0.576502 -0.213839 0.615318
C 1.536857 0.807542 0.814037
C 0.840314 -1.221968 -0.348482
C 2.752452 0.845272 0.081151
C 2.040870 -1.197557 -1.088851
C 2.990149 -0.170239 -0.878717
C 3.782877 1.931332 0.342110
H -0.829067 -1.176454 1.981913
H -0.724788 0.591987 2.150347
H -3.074031 0.346654 -2.223158
H -3.880361 1.643792 -1.277638
H -4.887581 0.045352 0.218112
H -4.408857 -1.223151 -0.942594
H -1.233961 1.375813 -0.779784
H 1.338423 1.589385 1.559865
H 0.103163 -2.017270 -0.513373
H 2.239647 -1.977673 -1.832782
H 3.920131 -0.157587 -1.460303
H 4.407227 2.120171 -0.548756
H 3.305582 2.883734 0.633952
H 4.464294 1.641330 1.165621


