%chk=000072131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072131

0 1
 O    5.069300     -0.4346000      -1.088500    
 O    3.591400      -3.169900      0.9916000    
 O    2.862800      -2.603800      -1.092800    
 N   4.1800000E-02   1.917500      4.6300001E-02
 N   -2.106900      -1.117300     -0.3803000    
 C    2.278700      3.6800001E-02 -0.1274000    
 C    2.442000       1.486200      0.3795000    
 C   0.8319000     -0.4263000      0.1258000    
 C  -0.1692000      0.5522000     -0.5102000    
 C    3.324600     -0.8777000      0.5392000    
 C    1.391000       2.409700     -0.2567000    
 C    3.863800       2.002600      0.1284000    
 C    4.755600     -0.3654000      0.3041000    
 C    4.907300       1.084200      0.7694000    
 C   -1.593700      0.1450000     -0.2856000    
 C  -0.9964000       2.865200     -0.4120000    
 C   -2.630100       1.013800     -1.4600000E-02
 C   -2.391500       2.476100      0.1325000    
 C    3.225200      -2.287100      3.0500000E-02
 C   -3.821200      0.2465000      9.0999998E-02
 C   -3.465200      -1.086500     -0.1423000    
 C   -5.170900      0.5502000      0.3592000    
 C   -4.397900      -2.129700     -0.1205000    
 C   -6.112600     -0.4846000      0.3849000    
 C   -5.729900      -1.803100      0.1484000    
 H    2.439700      2.8999999E-02  -1.215500    
 H    2.277500       1.492600       1.467800    
 H   0.6479000     -0.5103000       1.205800    
 H   0.6798000      -1.427300     -0.2930000    
 H  -4.1000000E-03  0.5736000      -1.597500    
 H    3.119500     -0.8922000       1.618900    
 H    1.517200       3.416100      0.1617000    
 H    1.547200       2.485400      -1.340700    
 H    3.973300       3.012200      0.5420000    
 H    4.050800       2.080600     -0.9499000    
 H    5.475800      -1.002500      0.8306000    
 H    5.905500       1.458500      0.5132000    
 H    4.810000       1.129900       1.860800    
 H   -1.018500       2.900700      -1.509500    
 H  -0.7719000       3.879400     -5.9700001E-02
 H   -3.162600       3.046700     -0.3967000    
 H   -2.454100       2.737400       1.196200    
 H   -1.578500      -1.952400     -0.5921000    
 H    5.983700     -0.1227000      -1.198600    
 H   -5.484500       1.573600      0.5446000    
 H    3.532100      -4.097700      0.6786000    
 H   -4.101900      -3.157000     -0.3054000    
 H   -7.154700     -0.2552000      0.5914000    
 H   -6.478200      -2.591200      0.1726000    


%chk=000072131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072131

0 1
O 5.074142 -0.539065 -1.041515
O 4.113894 -3.143907 0.821558
O 2.560067 -2.789977 -0.858459
N 0.021275 1.937186 -0.012623
N -2.137170 -1.124897 -0.453696
C 2.271000 0.037602 -0.115465
C 2.445829 1.505595 0.363944
C 0.814427 -0.415431 0.143180
C -0.182271 0.555501 -0.537026
C 3.313805 -0.882328 0.568457
C 1.390962 2.411014 -0.306736
C 3.881267 2.014396 0.111945
C 4.770037 -0.362463 0.396041
C 4.909649 1.111173 0.824290
C -1.625147 0.177365 -0.325033
C -1.039216 2.885725 -0.444315
C -2.654758 1.050758 0.011699
C -2.399341 2.524746 0.199553
C 3.253511 -2.322726 0.068803
C -3.868920 0.265557 0.110818
C -3.514040 -1.101255 -0.190802
C -5.221300 0.570242 0.417320
C -4.463783 -2.144667 -0.191934
C -6.173939 -0.468626 0.418501
C -5.799831 -1.811466 0.117433
H 2.461496 0.002937 -1.207981
H 2.245028 1.533794 1.457404
H 0.599669 -0.433709 1.229598
H 0.673549 -1.434479 -0.260069
H 0.040966 0.533041 -1.642016
H 3.118990 -0.913579 1.660887
H 1.490984 3.442601 0.081666
H 1.593676 2.449852 -1.411547
H 3.984469 3.056806 0.472067
H 4.087976 2.020388 -0.976566
H 5.445601 -1.003488 0.997536
H 5.944157 1.453113 0.617467
H 4.768590 1.175031 1.922622
H -1.150875 2.894593 -1.559072
H -0.731097 3.901237 -0.133711
H -3.198912 3.133338 -0.267738
H -2.376449 2.786923 1.276006
H -1.591883 -1.951173 -0.689284
H 6.017579 -0.287016 -1.203424
H -5.521394 1.598048 0.651892
H 4.074882 -4.069258 0.456922
H -4.182117 -3.178297 -0.423404
H -7.220839 -0.245945 0.654149
H -6.563293 -2.597612 0.126158


