%chk=000053172.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053172

0 1
 O   -5.088600       1.666800     -0.4545000    
 O    5.319600       1.509000     -0.3198000    
 N   -3.010400      0.5676000     -0.3646000    
 N    3.510500      6.6299997E-02  0.1060000    
 C   -1.339400     -0.7283000      0.8227000    
 C    1.142200     -0.3340000      0.4405000    
 C  -0.2410000      0.3174000      0.5826000    
 C   -1.332400      -1.792000     -0.2824000    
 C    1.133500      -1.400600     -0.6619000    
 C   4.1200001E-02  -2.440800     -0.4295000    
 C   -2.709500     -5.9200000E-02  0.9173000    
 C    2.209400      0.7226000      0.1594000    
 C   -4.049600       1.117000     -0.4088000    
 C    4.414500      0.7883000     -0.1070000    
 H   -1.138500      -1.223600       1.782200    
 H    1.387300     -0.8297000       1.390400    
 H  -0.4550000      0.8989000     -0.3233000    
 H  -0.2259000       1.029600       1.417200    
 H   -1.610500      -1.355700      -1.249500    
 H   -2.075200      -2.567300     -5.9200000E-02
 H    2.098000      -1.918900     -0.7107000    
 H   0.9774000     -0.9268000      -1.639700    
 H   0.2717000      -3.017200      0.4748000    
 H   2.5100000E-02  -3.150800      -1.264200    
 H   -2.701100      0.6844000       1.725900    
 H   -3.466900     -0.8145000       1.168400    
 H    2.193300       1.477300      0.9577000    
 H    1.991400       1.234500     -0.7883000    


%chk=000053172-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053172

0 1
O -4.941134 1.777016 -1.228851
O 5.876601 0.717753 -0.256197
N -3.246884 0.510972 -0.020691
N 3.476294 0.417365 0.027410
C -1.338625 -0.781369 0.900698
C 1.117189 -0.243290 0.400089
C -0.301400 0.334185 0.625705
C -1.333700 -1.834676 -0.234791
C 1.107618 -1.288450 -0.741572
C 0.082098 -2.411243 -0.467705
C -2.750800 -0.200360 1.144470
C 2.113756 0.905355 0.126516
C -4.136429 1.138382 -0.566476
C 4.664000 0.638836 -0.121634
H -1.055622 -1.292011 1.847328
H 1.444278 -0.755082 1.330427
H -0.620512 0.901229 -0.273287
H -0.291403 1.051047 1.473059
H -1.696245 -1.354681 -1.166034
H -2.044055 -2.650854 0.005033
H 2.121831 -1.711318 -0.866279
H 0.848411 -0.778847 -1.694165
H 0.398926 -2.988735 0.425536
H 0.065454 -3.122199 -1.315523
H -2.723458 0.493249 2.009652
H -3.450165 -1.023569 1.395363
H 2.050265 1.654819 0.941776
H 1.834809 1.416776 -0.818157


