%chk=000149004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149004

0 1
 O    2.977300     -0.1890000     -0.4878000    
 O   0.2271000     -0.4850000      -2.104100    
 O   -4.072100      -2.401500     -0.3183000    
 O   -5.341800     -0.1939000      0.7898000    
 N   0.8991000      0.8796000     -0.3620000    
 N   -1.482600       2.531600      0.1092000    
 C   0.6484000       1.544800      0.9082000    
 C    2.288400       1.021400     -0.7748000    
 C    2.020200       2.010000       1.385100    
 C    2.822500       2.157100      8.9699998E-02
 C  -2.8600000E-02  0.1425000      -1.078300    
 C  -0.2662000       2.678400      0.5314000    
 C   -1.419700      0.1176000     -0.5554000    
 C    4.371000     -6.8200000E-02 -0.7381000    
 C   -2.052600       1.245800      7.1000000E-03
 C    5.043000      -1.399000     -0.4313000    
 C   -2.109700      -1.100000     -0.6648000    
 C   -3.379200       1.110900      0.4472000    
 C    4.828000      -1.817400       1.020400    
 C   -3.422200      -1.209400     -0.2103000    
 C   -4.057100     -0.1047000      0.3459000    
 C    5.463900      -3.167400       1.311000    
 C   -3.957400      -3.304300      0.7801000    
 H   0.1585000      0.8767000       1.623000    
 H    2.342400       1.230100      -1.849100    
 H    2.480000       1.233000       2.008100    
 H    1.990300       2.939200       1.962200    
 H    2.539500       3.111000     -0.3762000    
 H    3.888200       2.225900      0.2932000    
 H   0.1346000       3.703900      0.5932000    
 H    4.859200      0.6702000     -0.1021000    
 H    4.538500      0.1958000      -1.788500    
 H    6.114700      -1.328300     -0.6497000    
 H    4.622500      -2.171000      -1.087500    
 H   -1.625800      -1.973700      -1.096500    
 H    3.758000      -1.880900       1.248800    
 H    5.257300      -1.064700       1.691900    
 H   -3.893600       1.970500      0.8740000    
 H    5.029100      -3.950000      0.6811000    
 H    6.543100      -3.139700       1.129800    
 H    5.302400      -3.445100       2.357400    
 H   -5.671000      -1.090700      0.6065000    
 H   -4.559000      -4.190200      0.5594000    
 H   -4.333000      -2.846600       1.700700    
 H   -2.915600      -3.612900      0.9127000    


%chk=000149004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149004

0 1
O 3.174154 0.044856 0.169674
O 0.405932 -0.681002 -1.515722
O -4.282653 -2.275015 -0.145748
O -5.525644 -0.109340 0.813794
N 0.931151 1.016495 -0.026031
N -1.620610 2.672668 0.388017
C 0.632175 1.885412 1.150798
C 2.358406 1.095206 -0.436158
C 2.015365 2.478401 1.518284
C 2.796914 2.437846 0.179850
C 0.022785 0.156779 -0.627516
C -0.392385 2.937292 0.730644
C -1.411466 0.196553 -0.176404
C 3.472508 -1.110825 -0.717486
C -2.128988 1.344858 0.305825
C 4.217916 -2.151106 0.122582
C -2.122189 -1.022810 -0.372506
C -3.514790 1.226550 0.612083
C 5.576107 -1.658163 0.671489
C -3.472209 -1.130483 -0.029771
C -4.177227 0.003159 0.483452
C 6.303072 -2.733601 1.506475
C -3.671734 -3.480795 -0.714651
H 0.202625 1.273559 1.969514
H 2.419790 1.041993 -1.538927
H 2.517233 1.835161 2.260219
H 1.923753 3.493841 1.940698
H 2.493921 3.270881 -0.480883
H 3.888570 2.464980 0.314032
H -0.076666 3.991893 0.704612
H 4.109070 -0.758580 -1.559386
H 2.525421 -1.506254 -1.127666
H 4.377283 -3.049560 -0.509388
H 3.566566 -2.462398 0.963157
H -1.564661 -1.853852 -0.813832
H 5.404302 -0.753202 1.283826
H 6.219260 -1.347056 -0.177709
H -4.063115 2.114324 0.935380
H 5.689891 -3.041412 2.374754
H 6.505824 -3.638997 0.902740
H 7.270208 -2.361490 1.892126
H -5.820144 -1.040156 0.623164
H -4.470529 -4.236211 -0.727509
H -2.831918 -3.828372 -0.084289
H -3.313273 -3.289628 -1.743305


