%chk=000002056.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002056

0 1
 O    1.213600      0.7137000       1.838700    
 O   -5.002000      -2.540300     -0.4470000    
 O   -6.796100     -0.4241000     -0.2701000    
 N    1.925800       1.210100     -0.3021000    
 N  -0.9269000       1.056400      -2.424400    
 C    3.317700       1.411200      3.4600001E-02
 C    4.085200      0.1067000      1.8400000E-02
 C    3.933000       2.465100     -0.8838000    
 C    3.739700     -0.8688000     -0.9004000    
 C    5.115300     -8.1900001E-02  0.9232000    
 C   0.9701000      0.8719000      0.6434000    
 C    4.446900      -2.071000     -0.9151000    
 C    5.822300      -1.284200      0.9085000    
 C  -0.4239000      0.7130000      9.1100000E-02
 C    5.488300      -2.278700     -1.0700000E-02
 C   -2.804600      0.1529000      0.6431000    
 C   -1.385200      0.3633000      0.9681000    
 C   -3.233700      -1.105300      0.2488000    
 C   -3.688900       1.216900      0.7359000    
 C   -4.579300      -1.304300     -5.9999999E-02
 C   -5.034400       1.017900      0.4268000    
 C   -5.479600     -0.2428000      2.8999999E-02
 C  -0.7035000      0.9022000      -1.296000    
 H    3.339700       1.808400       1.058200    
 H    4.973100       2.670600     -0.6087000    
 H    3.923200       2.138600      -1.930300    
 H    3.373600       3.405400     -0.8263000    
 H    1.672200       1.285100      -1.282200    
 H    2.945000     -0.7282000      -1.626700    
 H    5.384300      0.6871000       1.641300    
 H    4.189500      -2.844100      -1.633200    
 H    6.633700      -1.445700       1.612200    
 H    6.039600      -3.214300     -2.2800000E-02
 H   -1.161900      0.2138000       2.022100    
 H   -2.536800      -1.937000      0.1781000    
 H   -3.354400       2.203800       1.045000    
 H   -5.725000       1.853700      0.5004000    
 H   -5.958400      -2.495900     -0.6205000    
 H   -7.266700      0.4189000     -0.1524000    


%chk=000002056-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002056

0 1
O 1.060356 1.780657 1.244159
O -5.466073 -1.340449 -1.474029
O -7.040917 -0.491399 0.538774
N 1.956137 0.810039 -0.678007
N -0.533924 -0.787142 -2.486846
C 3.344458 1.277126 -0.434874
C 4.253770 0.077827 -0.115376
C 3.813731 2.159849 -1.608214
C 5.346830 -0.304357 -0.930313
C 3.977091 -0.681537 1.053213
C 0.914364 1.099743 0.178004
C 6.142770 -1.424025 -0.589588
C 4.769477 -1.796141 1.396075
C -0.446059 0.553256 -0.225870
C 5.857338 -2.173784 0.572309
C -2.914116 0.458589 0.561837
C -1.502192 0.815665 0.624766
C -3.515127 -0.305336 -0.485791
C -3.736574 0.915390 1.637200
C -4.885429 -0.594567 -0.449442
C -5.114098 0.627007 1.676564
C -5.685755 -0.126914 0.634070
C -0.536421 -0.183342 -1.449380
H 3.265647 1.903646 0.473607
H 4.826799 2.555930 -1.417301
H 3.835344 1.602197 -2.563082
H 3.125578 3.013617 -1.727627
H 1.788552 0.217419 -1.496625
H 5.589456 0.266040 -1.833344
H 3.136738 -0.388032 1.694291
H 6.984476 -1.708037 -1.231522
H 4.543828 -2.368587 2.302810
H 6.474506 -3.040121 0.835569
H -1.193548 1.404814 1.502460
H -2.936436 -0.681864 -1.332181
H -3.283939 1.500860 2.444480
H -5.732289 0.984959 2.508601
H -6.436331 -1.451779 -1.292183
H -7.577521 -0.157117 1.297001


