%chk=000003797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003797

0 1
 O  -0.3576000      -1.143100      -1.226900    
 N    2.773900       1.339000      0.1337000    
 C    2.399300       2.717200     -0.1871000    
 C    1.794100      0.4022000     -0.4045000    
 C    4.109800       1.041800     -0.3858000    
 C   0.3872000      0.7296000      9.5899999E-02
 C    2.392100       2.925300      -1.698900    
 C    3.368400       3.678400      0.4938000    
 C    4.557800     -0.3482000     -1.9400001E-02
 C  -0.6939000     -0.2154000     -0.4625000    
 C   -2.088000     -2.0300001E-02 -9.7999997E-02
 C    5.252200     -0.5525000       1.164800    
 C    4.270400      -1.405500     -0.8712000    
 C   -3.067400     -0.8763000     -0.6025000    
 C   -4.418000     -0.7013000     -0.2596000    
 C   -2.444500       1.019900      0.7551000    
 C   -4.780400      0.3565000      0.6079000    
 C   -3.781500       1.208300       1.106700    
 C    5.667700      -1.840300       1.504000    
 C    4.685700      -2.693200     -0.5320000    
 C    5.384300      -2.910500      0.6556000    
 C   -5.416700      -1.553500     -0.7582000    
 C   -6.131100      0.5313000      0.9507000    
 C   -6.753800      -1.365000     -0.4072000    
 C   -7.110200     -0.3245000      0.4456000    
 H    1.428200       2.985500      0.2362000    
 H    1.988600     -0.6057000     -2.1400001E-02
 H    1.810300      0.3236000      -1.497800    
 H    4.869900       1.722400      1.2700000E-02
 H    4.179200       1.118900      -1.477400    
 H   0.3625000      0.6842000       1.190700    
 H   6.5300003E-02   1.714900     -0.2515000    
 H    2.037900       3.944200      -1.905100    
 H    3.380500       2.869100      -2.164200    
 H    1.704200       2.269100      -2.237700    
 H    3.520900       3.420100       1.548000    
 H    2.954100       4.693900      0.4721000    
 H    4.343600       3.739800      9.9999997E-05
 H    5.476100      0.2731000       1.834400    
 H    3.740200      -1.251800      -1.806700    
 H   -2.791900      -1.691200      -1.269800    
 H   -1.718700       1.709600       1.174000    
 H   -4.037800       2.027600       1.775200    
 H    6.211200      -2.009600       2.428900    
 H    4.467900      -3.526100      -1.194000    
 H    5.708200      -3.913100      0.9193000    
 H   -5.161400      -2.373500      -1.426400    
 H   -6.432600       1.337800       1.615900    
 H   -7.516600      -2.031100     -0.7999000    
 H   -8.151300     -0.1784000      0.7184000    


%chk=000003797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003797

0 1
O -0.706367 -0.307853 -2.198125
N 2.797138 1.513053 -0.540000
C 2.761442 2.997266 -0.724161
C 1.677675 0.798542 -1.207748
C 4.116011 0.877289 -0.765848
C 0.405415 0.805353 -0.337640
C 3.271012 3.479751 -2.113244
C 3.496997 3.724312 0.423141
C 4.270367 -0.449775 -0.022201
C -0.796579 0.150946 -1.018821
C -2.093877 0.060092 -0.260983
C 3.792551 -0.594505 1.304903
C 4.932916 -1.543242 -0.631978
C -3.196533 -0.539848 -0.890492
C -4.456822 -0.660081 -0.230789
C -2.239976 0.564226 1.078765
C -4.596181 -0.148777 1.119890
C -3.458527 0.461015 1.746764
C 3.982777 -1.803015 2.009941
C 5.126245 -2.755288 0.070959
C 4.652443 -2.888668 1.395984
C -5.590393 -1.272834 -0.864658
C -5.861435 -0.270251 1.781843
C -6.810620 -1.377352 -0.194733
C -6.946591 -0.871788 1.138971
H 1.690559 3.274990 -0.650419
H 1.978101 -0.250104 -1.377278
H 1.443673 1.215370 -2.212534
H 4.891882 1.577057 -0.399347
H 4.335253 0.707071 -1.848328
H 0.621795 0.284963 0.616553
H 0.132861 1.843292 -0.054797
H 3.090063 4.563495 -2.237249
H 4.357982 3.307065 -2.221366
H 2.754650 2.954362 -2.937726
H 3.112068 3.384154 1.400261
H 3.351265 4.817520 0.343829
H 4.586538 3.535467 0.398097
H 3.263784 0.250133 1.761077
H 5.296124 -1.447379 -1.663331
H -3.065520 -0.918890 -1.911016
H -1.387250 1.031581 1.580964
H -3.562158 0.846722 2.767921
H 3.610684 -1.901461 3.036583
H 5.637590 -3.593812 -0.415704
H 4.797669 -3.827933 1.941786
H -5.480910 -1.658238 -1.885124
H -5.966859 0.115883 2.802690
H -7.670697 -1.846413 -0.684563
H -7.909933 -0.960263 1.653280


