%chk=000082411.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082411

0 1
 O   7.9800002E-02  0.3606000      0.8073000    
 O    1.320700       2.173500      0.1164000    
 N    1.790800      -2.582700      0.2685000    
 C   -1.163900       1.028900      0.6063000    
 C   -1.434000       1.180900     -0.8915000    
 C   -2.267500      0.2294000       1.299200    
 C   -1.687000     -0.1656000      -1.570200    
 C   -2.521700      -1.115000      0.6161000    
 C   -2.799500     -0.9450000     -0.8747000    
 C    1.178500      0.9689000      0.2718000    
 C    2.192300     -5.6100000E-02 -0.1025000    
 C    3.339300      0.3707000     -0.6489000    
 C    1.972100      -1.448500      0.1022000    
 H   -1.105900       2.017400       1.078800    
 H  -0.6182000       1.687700      -1.416000    
 H   -2.323000       1.810900      -1.024600    
 H   -3.195700      0.8138000       1.299200    
 H   -1.994300      4.4399999E-02   2.344700    
 H  -0.7671000     -0.7617000      -1.571300    
 H   -1.957900     -7.9999998E-04  -2.619400    
 H   -3.371900      -1.614500       1.094400    
 H   -1.651800      -1.768900      0.7531000    
 H   -3.752500     -0.4188000      -1.009900    
 H   -2.909100      -1.929100      -1.344000    
 H    3.546100       1.421900     -0.8225000    
 H    4.117500     -0.3278000     -0.9439000    


%chk=000082411-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082411

0 1
O 0.132016 0.197990 0.310656
O 1.403076 2.126038 -0.071974
N 2.036698 -2.653436 0.298596
C -1.152518 1.004474 0.380696
C -1.689122 1.206024 -1.050159
C -2.100155 0.181590 1.265369
C -2.111176 -0.128652 -1.709271
C -2.519109 -1.148849 0.594178
C -3.108543 -0.906803 -0.816770
C 1.304309 0.884054 0.072770
C 2.475956 -0.068490 0.019010
C 3.730228 0.432083 -0.179525
C 2.231912 -1.480218 0.174169
H -0.890551 1.975653 0.840112
H -0.934299 1.736516 -1.659168
H -2.568625 1.878078 -0.974234
H -2.997952 0.805335 1.452975
H -1.621456 -0.005342 2.244241
H -1.212171 -0.753027 -1.878085
H -2.556196 0.074331 -2.701918
H -3.254108 -1.671222 1.235402
H -1.632483 -1.806449 0.513500
H -4.052940 -0.329050 -0.729815
H -3.366495 -1.873083 -1.290388
H 3.860421 1.513836 -0.294510
H 4.609383 -0.216883 -0.227257


