%chk=000085869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085869

0 1
 O    2.859300      -1.013000      0.3883000    
 O   -2.839300       1.499300      -1.150400    
 O   -4.283700       2.820800      0.7080000    
 N   -3.876600       1.495700      0.9118000    
 C   -2.757700     -0.5208000      0.1946000    
 C   -3.365400      -1.503300     -0.8260000    
 C   -1.243500     -0.6538000      0.2467000    
 C  -0.5100000     -0.3804000     -0.8901000    
 C  -0.6477000      -1.043200       1.429100    
 C   -3.146100      0.9288000     -0.1056000    
 C   -4.884200      -1.397800     -0.8987000    
 C    4.967800      0.1122000      0.1777000    
 C    1.504400     -0.8935000      0.3410000    
 C    3.616700     -0.1596000     -0.4684000    
 C   0.8787000     -0.5017000     -0.8424000    
 C   0.7412000      -1.164200       1.476800    
 C    5.827500       1.035500     -0.6808000    
 C    7.158500       1.339000     -1.1800000E-02
 H   -3.164900     -0.7919000       1.178700    
 H   -3.090500      -2.530500     -0.5553000    
 H   -2.969200      -1.326400      -1.833000    
 H  -0.9730000     -9.0000004E-02  -1.827500    
 H   -1.231000      -1.256200       2.319700    
 H    5.487000     -0.8386000      0.3514000    
 H    4.811700      0.5536000       1.170300    
 H   -5.203900     -0.4237000      -1.280800    
 H   -5.335800      -1.550000      8.6800002E-02
 H   -5.280200      -2.163900      -1.573200    
 H    3.754500     -0.6560000      -1.435900    
 H    3.115400      0.8053000     -0.6202000    
 H    1.433200     -0.3108000      -1.756500    
 H    1.223100      -1.469800       2.401500    
 H    5.296900       1.977300     -0.8634000    
 H    6.011100      0.5720000      -1.657000    
 H    7.009100       1.835100      0.9525000    
 H    7.730000      0.4210000      0.1587000    
 H    7.758700       2.000300     -0.6445000    
 H   -4.257000       1.019300       1.721300    
 H   -3.569500       3.292800       1.169000    


%chk=000085869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085869

0 1
O 2.833151 -0.320521 0.781502
O -3.533238 1.409624 -1.190099
O -4.724095 2.727524 0.772644
N -4.183512 1.410687 0.989573
C -2.913545 -0.563123 0.218306
C -3.317295 -1.568654 -0.902839
C -1.390566 -0.440256 0.351584
C -0.614596 0.225624 -0.628072
C -0.719635 -1.042077 1.448414
C -3.549021 0.799774 -0.060122
C -4.832243 -1.852779 -0.954458
C 5.133030 0.176419 0.223602
C 1.445168 -0.317940 0.576758
C 3.680269 0.351217 -0.222983
C 0.792204 0.293836 -0.523453
C 0.681667 -0.986530 1.565578
C 6.127579 0.835408 -0.760688
C 7.595919 0.656358 -0.319039
H -3.315904 -0.945168 1.180133
H -2.756096 -2.506980 -0.732488
H -2.978229 -1.156565 -1.871227
H -1.118125 0.709823 -1.472472
H -1.299079 -1.565949 2.219223
H 5.352652 -0.904714 0.313930
H 5.254784 0.614472 1.232860
H -5.404354 -0.935660 -1.183994
H -5.200709 -2.257298 0.007829
H -5.062591 -2.594967 -1.739966
H 3.512341 -0.110606 -1.218867
H 3.407502 1.426135 -0.280635
H 1.360335 0.821315 -1.295268
H 1.204157 -1.449861 2.408096
H 5.898164 1.916818 -0.851050
H 5.990689 0.400599 -1.771966
H 7.768513 1.108493 0.675559
H 7.860901 -0.415334 -0.250749
H 8.292255 1.132637 -1.032941
H -4.224540 1.133153 1.968294
H -4.498306 2.853966 -0.208109


