%chk=000076499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076499

0 1
 O    1.281500      -1.678900      0.9903000    
 O    2.948600       3.652900     -0.2496000    
 O    3.447800      -2.583100     -0.8815000    
 N    2.639800     -9.4999997E-03  0.1260000    
 C   -2.386300      0.2426000     -0.1041000    
 C   -1.136300     -0.5033000      0.3714000    
 C   -3.689300     -0.5017000      0.1950000    
 C   0.1702000      0.2058000      7.6000001E-03
 C   -4.905600      0.3015000     -0.2717000    
 C    1.401800     -0.5897000      0.4232000    
 C   -6.210200     -0.4252000      5.5100001E-02
 C    2.758000       1.279200     -0.5451000    
 C    3.907600     -0.6514000      0.4658000    
 C   -7.422300      0.3852000     -0.3760000    
 C    2.798000       2.424500      0.4500000    
 C    4.396700      -1.548800     -0.6563000    
 H   -2.412900       1.230700      0.3720000    
 H   -2.312300      0.4143000      -1.185200    
 H   -1.136100      -1.509800     -6.6299997E-02
 H   -1.187800     -0.6386000       1.459100    
 H   -3.677400      -1.478500     -0.3032000    
 H   -3.762500     -0.6887000       1.273100    
 H   0.1854000       1.187400      0.4876000    
 H   0.1903000      0.3356000      -1.079600    
 H   -4.840600      0.4742000      -1.352900    
 H   -4.903200       1.285200      0.2134000    
 H   -6.229600      -1.399200     -0.4475000    
 H   -6.271400     -0.6150000       1.133100    
 H    1.943900       1.437100      -1.257100    
 H    3.667400       1.283900      -1.159100    
 H    4.652900      0.1119000      0.7122000    
 H    3.742300      -1.259900       1.362500    
 H   -7.408400      0.5674000      -1.455300    
 H   -8.343900     -0.1534000     -0.1342000    
 H   -7.450000       1.352500      0.1358000    
 H    3.645300       2.316300       1.135200    
 H    1.886000       2.477900       1.050600    
 H    5.351800      -2.008500     -0.3842000    
 H    4.525600     -0.9894000      -1.588200    
 H    2.977600       4.359700      0.4175000    
 H    3.796500      -3.138700      -1.599300    


%chk=000076499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076499

0 1
O 1.225497 -1.755663 1.077392
O 3.189137 3.538571 -0.315353
O 3.899418 -2.080235 -1.547575
N 2.600996 -0.118163 0.152466
C -2.446929 0.174220 -0.205814
C -1.210198 -0.521414 0.403686
C -3.781129 -0.399628 0.322421
C 0.112988 0.082864 -0.105881
C -5.026767 0.270779 -0.299244
C 1.343113 -0.670841 0.427055
C -6.360072 -0.295883 0.240143
C 2.790429 1.181320 -0.512739
C 3.802121 -0.878841 0.554403
C -7.600053 0.373559 -0.391158
C 2.910892 2.342428 0.493497
C 4.708626 -1.289302 -0.615588
H -2.409800 1.263802 0.008408
H -2.420140 0.074567 -1.311799
H -1.225845 -1.602132 0.172152
H -1.242292 -0.450617 1.508225
H -3.813356 -1.490936 0.122416
H -3.815704 -0.286659 1.426348
H 0.164053 1.155468 0.168972
H 0.133712 0.048205 -1.215489
H -4.998125 0.148269 -1.402543
H -4.991167 1.364176 -0.107944
H -6.392321 -1.388741 0.053216
H -6.389665 -0.169054 1.341760
H 1.964511 1.392924 -1.209282
H 3.712278 1.155902 -1.119817
H 4.411891 -0.292360 1.273171
H 3.431659 -1.781744 1.068165
H -7.610229 0.232310 -1.488644
H -8.539395 -0.047504 0.012481
H -7.605358 1.462550 -0.194402
H 3.735551 2.142708 1.210332
H 1.965465 2.451923 1.065694
H 5.547624 -1.884182 -0.192967
H 5.143516 -0.400144 -1.123861
H 3.239781 4.334510 0.270192
H 4.474187 -2.432512 -2.272397


