%chk=000010173.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010173

0 1
 O   -3.502500       1.976100      0.8771000    
 N   -1.720100      -1.962400     -6.0199998E-02
 N    4.134100     -0.6496000     -3.2299999E-02
 N   -5.059800       1.073000     -0.5558000    
 C  -0.4345000      -1.305800      0.3096000    
 C  -0.3792000      0.1983000     -9.4899997E-02
 C   0.7642000      -2.144400     -0.2712000    
 C   -2.864500      -1.100700      0.2699000    
 C   -2.820200      0.1882000     -0.5546000    
 C    2.043900      -1.395700     -0.1568000    
 C   0.9314000      0.8817000     -1.8200001E-02
 C    2.026300      1.0200000E-02 -4.9199998E-02
 C   -1.476500      0.8484000     -0.5204000    
 C    3.331100      0.4690000      2.3900000E-02
 C   -1.887800      -3.263500      0.5953000    
 C    3.362300      -1.786000     -0.1439000    
 C    1.205900       2.250500      9.0499997E-02
 C   -3.805400       1.173200     -2.0000001E-03
 C    3.622200       1.829700      0.1309000    
 C    2.529000       2.709700      0.1624000    
 H  -0.3405000      -1.311100       1.407500    
 H   0.5845000      -2.371000      -1.330200    
 H   0.8613000      -3.095500      0.2639000    
 H   -2.889600     -0.8823000       1.347400    
 H   -3.805100      -1.617800      3.7300002E-02
 H   -3.063100     -2.5800001E-02  -1.603600    
 H   -1.415500       1.877200     -0.8668000    
 H   -2.855900      -3.705400      0.3315000    
 H   -1.835400      -3.185200       1.687000    
 H   -1.135700      -3.982800      0.2585000    
 H    3.828100      -2.759400     -0.2068000    
 H   0.4004000       2.978800      0.1318000    
 H    5.144100     -0.6394000     -8.9999998E-04
 H    4.641400       2.194700      0.1886000    
 H    2.714300       3.778200      0.2483000    
 H   -5.811700       1.685000     -0.2570000    
 H   -5.286200      0.3911000      -1.272700    


%chk=000010173-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000010173

0 1
O -3.759191 2.379739 0.266437
N -1.732043 -1.889327 0.027699
N 4.225499 -0.716567 -0.059338
N -5.237880 0.796374 -0.552758
C -0.395860 -1.276418 0.280085
C -0.360248 0.219376 -0.108047
C 0.724920 -2.104028 -0.447352
C -2.860192 -0.984678 0.355332
C -2.832745 0.241859 -0.590508
C 2.060871 -1.429179 -0.255864
C 0.971990 0.864033 0.012844
C 2.083639 -0.008735 -0.046689
C -1.472662 0.892556 -0.512226
C 3.433243 0.434418 0.066458
C -1.892375 -3.200620 0.692910
C 3.390574 -1.844722 -0.252857
C 1.257957 2.236716 0.198863
C -3.957811 1.242093 -0.249570
C 3.718591 1.807774 0.247220
C 2.608230 2.685771 0.308133
H -0.156265 -1.316389 1.377847
H 0.451639 -2.157940 -1.519838
H 0.740410 -3.138783 -0.061498
H -2.829572 -0.625028 1.414561
H -3.798227 -1.556785 0.226153
H -3.009469 -0.136754 -1.620931
H -1.413957 1.955654 -0.771484
H -2.895281 -3.603882 0.466546
H -1.782555 -3.144700 1.805337
H -1.152474 -3.924038 0.312988
H 3.822718 -2.836577 -0.374849
H 0.444599 2.965151 0.288746
H 5.241473 -0.745460 -0.020257
H 4.740210 2.191854 0.340353
H 2.793899 3.755747 0.457347
H -6.028440 1.403647 -0.338300
H -5.407913 -0.102954 -0.999593


