%chk=000066572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066572

0 1
 O  -0.8256000       2.627600     -0.3568000    
 O   -2.673800      0.2859000      -1.977500    
 O   -8.520500     -0.3135000      0.7623000    
 N    4.282600       1.271400      0.2005000    
 N   -3.003300      5.2800000E-02  0.3339000    
 C    3.386300      0.2517000     -3.7099998E-02
 C    4.124900     -0.9332000     -6.4900003E-02
 C    1.981100      0.2747000     -0.2303000    
 C    5.496800     -0.5951000      0.1637000    
 C    5.562400      0.7872000      0.3259000    
 C    1.324200     -0.9588000     -0.4577000    
 C    3.448700      -2.148900     -0.2935000    
 C    2.062000      -2.148300     -0.4865000    
 C    1.248400       1.477800     -0.1991000    
 C  -6.6000000E-02 -0.9521000     -0.6508000    
 C    6.691000      -1.341600      0.2478000    
 C  -0.7862000      0.2449000     -0.6188000    
 C    6.762300       1.465900      0.5687000    
 C  -0.1317000       1.454600     -0.3937000    
 C    7.899100     -0.6782000      0.4902000    
 C    7.931900      0.7053000      0.6482000    
 C   -2.227900      0.2059000     -0.8227000    
 C   -4.412500     -4.1299999E-02  0.4429000    
 C   -5.185200      1.8700000E-02 -0.7041000    
 C   -4.985000     -0.1895000       1.694600    
 C   -6.572800     -7.2499998E-02 -0.5961000    
 C   -6.372600     -0.2808000       1.802600    
 C   -7.166700     -0.2223000      0.6572000    
 C   -9.271800     -0.2485000     -0.4490000    
 H    4.034900       2.248100      0.2739000    
 H    3.994200      -3.088400     -0.3213000    
 H    1.564200      -3.100600     -0.6609000    
 H    1.743300       2.429900     -2.4200000E-02
 H  -0.5931000      -1.888600     -0.8277000    
 H    6.681600      -2.421200      0.1269000    
 H    6.788000       2.543400      0.6915000    
 H    8.820800      -1.250100      0.5558000    
 H    8.880400       1.201900      0.8358000    
 H   -2.500200     -2.6000000E-03   1.217500    
 H   -1.772300       2.467000     -0.4999000    
 H   -4.801200      0.1332000      -1.706700    
 H   -4.375600     -0.2359000       2.592700    
 H   -7.130700     -2.0099999E-02  -1.525000    
 H   -6.829400     -0.3978000       2.781600    
 H   -9.040000      -1.088900      -1.112000    
 H   -9.149400      0.7194000     -0.9470000    
 H   -10.32920     -0.3371000     -0.1786000    


%chk=000066572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066572

0 1
O -0.530255 2.878677 -1.271892
O -2.785867 1.833010 -0.875407
O -8.645231 -1.081048 0.273315
N 4.508694 1.281174 -0.430461
N -3.043972 -0.286388 0.063711
C 3.510495 0.370138 -0.055235
C 4.132826 -0.796606 0.474599
C 2.089509 0.513550 -0.156338
C 5.569338 -0.578231 0.415518
C 5.769520 0.729738 -0.154988
C 1.297616 -0.610447 0.317675
C 3.326871 -1.887492 0.933819
C 1.941286 -1.788653 0.853688
C 1.436279 1.660892 -0.680159
C -0.117043 -0.511624 0.236220
C 6.697867 -1.351266 0.784714
C -0.776643 0.622265 -0.281758
C 7.056522 1.270943 -0.359633
C 0.036542 1.735063 -0.751281
C 7.986399 -0.817079 0.583059
C 8.161900 0.479551 0.017183
C -2.257193 0.755935 -0.380990
C -4.466948 -0.397362 0.076643
C -5.342591 0.610220 -0.399828
C -5.015304 -1.600695 0.603801
C -6.739839 0.414066 -0.348043
C -6.403101 -1.795660 0.654974
C -7.277147 -0.785961 0.177423
C -9.588635 -0.068748 -0.209149
H 4.346084 2.199335 -0.837180
H 3.799371 -2.786685 1.342427
H 1.309149 -2.614449 1.200666
H 1.995800 2.527237 -1.047503
H -0.684306 -1.377814 0.602857
H 6.573792 -2.348773 1.220513
H 7.199747 2.266300 -0.794045
H 8.868765 -1.402394 0.863394
H 9.175687 0.869132 -0.127925
H -2.552959 -1.098820 0.440062
H -1.555965 2.742448 -1.242024
H -4.923248 1.532210 -0.803912
H -4.350252 -2.390656 0.976771
H -7.392642 1.208019 -0.722173
H -6.832524 -2.717120 1.058444
H -9.444774 0.132763 -1.288495
H -9.491941 0.875327 0.361453
H -10.585273 -0.502622 -0.042208


