%chk=000136629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136629

0 1
 O    1.566800       1.432800       2.441700    
 O   -1.697400       1.830500      -2.058300    
 N   0.5819000      0.6260000      0.4595000    
 N  -0.6335000      0.6674000     -0.3073000    
 C    1.720100     -0.1597000      2.5599999E-02
 C   -1.702200     -0.2851000     -7.7600002E-02
 C   0.6230000       1.380100       1.650500    
 C  -0.7452000       1.671000      -1.291700    
 C    2.550100     -0.6735000      0.9849000    
 C   -2.986700      0.1188000     -0.3221000    
 C    1.900000     -0.3438000      -1.318600    
 C   -1.365700      -1.533700      0.3700000    
 C    3.645200      -1.429900      0.5675000    
 C   -4.015000     -0.7975000     -0.1015000    
 C    2.995200      -1.100400      -1.735900    
 C   -2.394200      -2.450000      0.5904000    
 C  -0.6291000       2.162400       2.001400    
 C   0.4377000       2.610000      -1.440600    
 C    3.867800      -1.643400     -0.7927000    
 C   -3.718800      -2.081800      0.3547000    
 H    2.380900     -0.6040000       2.051600    
 H   -3.272900       1.123400     -0.6069000    
 H    1.228900      3.0099999E-02  -2.080300    
 H  -0.3486000      -1.854000      0.5570000    
 H    4.314800      -1.868600       1.301800    
 H   -5.048000     -0.5064000     -0.2690000    
 H    3.163900      -1.274500      -2.794600    
 H   -2.163900      -3.450500      0.9451000    
 H  -0.8956000       2.862600       1.207500    
 H   -1.457800       1.480000       2.204400    
 H  -0.4447000       2.746900       2.908600    
 H   0.9915000       2.798700     -0.5228000    
 H   5.4400001E-02   3.582800      -1.769700    
 H    1.113600       2.244200      -2.216000    
 H    4.717000      -2.237700      -1.117400    
 H   -4.519800      -2.794100      0.5298000    


%chk=000136629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136629

0 1
O 1.453412 1.144014 2.688606
O -1.515257 2.160497 -1.947709
N 0.556381 0.650150 0.576148
N -0.584845 0.822135 -0.258165
C 1.638242 -0.157729 0.040574
C -1.644033 -0.162696 -0.121484
C 0.501215 1.249817 1.867402
C -0.555197 1.920993 -1.164870
C 2.866765 -0.335196 0.734955
C -2.874283 -0.055053 -0.827254
C 1.459654 -0.776052 -1.227674
C -1.439316 -1.260739 0.758563
C 3.887432 -1.119608 0.153738
C -3.871279 -1.038000 -0.640931
C 2.491131 -1.554927 -1.789755
C -2.447556 -2.230613 0.930135
C -0.767420 2.026196 2.198733
C 0.698856 2.785707 -1.137310
C 3.714524 -1.733495 -1.106090
C -3.672792 -2.128296 0.234046
H 3.009463 0.126695 1.711009
H -3.036560 0.778133 -1.509737
H 0.520093 -0.663249 -1.774140
H -0.497119 -1.370799 1.300769
H 4.828079 -1.246011 0.701293
H -4.813671 -0.940579 -1.191387
H 2.330205 -2.024747 -2.766114
H -2.267242 -3.069950 1.610456
H -0.925366 2.879909 1.516010
H -1.666643 1.388694 2.140988
H -0.655568 2.405218 3.224968
H 0.860164 3.260640 -0.153522
H 0.567461 3.570417 -1.896471
H 1.605044 2.200227 -1.371130
H 4.513799 -2.339201 -1.545756
H -4.454072 -2.883403 0.370105


