%chk=000041458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041458

0 1
 O   -1.014800      -2.434200      0.6835000    
 N   -1.216100      0.2832000     -0.5134000    
 N    1.064300      -1.467100       1.185400    
 C  -8.0600001E-02 -0.6180000     -0.7090000    
 C   -2.481900     -0.4288000     -0.7383000    
 C   -1.173500      0.8799000      0.8290000    
 C   -3.678400      0.5116000     -0.5857000    
 C   -2.327200       1.863200       1.032800    
 C    1.240000      7.1699999E-02 -0.4881000    
 C   -3.674400       1.198000      0.7755000    
 C  -0.1173000      -1.637400      0.4529000    
 C  -0.1553000      -1.336900      -2.052900    
 C    1.861300     -0.4680000      0.6374000    
 C    1.852200       1.084800      -1.204800    
 C    3.090600     -3.3399999E-02   1.090900    
 C    3.098800       1.542900     -0.7667000    
 C    3.712400      0.9884000      0.3714000    
 H   -2.668200      -1.258300     -5.5300001E-02
 H   -2.552400     -0.8139000      -1.760300    
 H  -0.2588000       1.460900      0.9894000    
 H   -1.243600      0.1397000       1.635300    
 H   -4.612100     -4.8099998E-02 -0.7144000    
 H   -3.651600       1.271900      -1.377000    
 H   -2.206200       2.717400      0.3541000    
 H   -2.301200       2.261200       2.053700    
 H   -4.476900       1.942200      0.8241000    
 H   -3.873000      0.4573000       1.559900    
 H  -0.9265000      -2.113900      -2.090100    
 H  -0.3164000     -0.6354000      -2.880100    
 H   0.7892000      -1.855800      -2.263800    
 H    1.318200      -1.998600       2.009700    
 H    1.383700       1.516800      -2.082200    
 H    3.561500     -0.4629000       1.967700    
 H    3.601300       2.338000      -1.311300    
 H    4.681400       1.361400      0.6923000    


%chk=000041458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041458

0 1
O -0.801700 -2.729310 0.807008
N -1.277620 0.166131 -0.391977
N 1.290698 -1.674215 1.134622
C -0.088524 -0.716289 -0.587945
C -2.605644 -0.440183 -0.710366
C -1.304816 0.816622 0.950996
C -3.700719 0.648696 -0.712561
C -2.361814 1.937913 0.997969
C 1.221816 0.053778 -0.401470
C -3.759908 1.384207 0.644566
C 0.043533 -1.843798 0.513962
C -0.111729 -1.411376 -1.974035
C 2.008004 -0.570945 0.602517
C 1.706083 1.188682 -1.065278
C 3.282861 -0.094147 0.956218
C 2.990170 1.690792 -0.722949
C 3.765687 1.052004 0.273883
H -2.869167 -1.237096 0.023557
H -2.559063 -0.907560 -1.707289
H -0.304029 1.234997 1.157951
H -1.535156 0.069610 1.752397
H -4.675215 0.177057 -0.944536
H -3.479565 1.377050 -1.517326
H -2.079858 2.726033 0.272780
H -2.363502 2.394489 2.006556
H -4.507594 2.199252 0.614364
H -4.084246 0.674243 1.433452
H -0.875028 -2.206599 -2.010361
H -0.318031 -0.662862 -2.759332
H 0.869480 -1.872141 -2.180475
H 1.616269 -2.275155 1.892754
H 1.092414 1.683646 -1.825429
H 3.886440 -0.580414 1.730233
H 3.382787 2.578206 -1.230575
H 4.755185 1.448480 0.527719


