%chk=000091878.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091878

0 1
 O  -0.4889000      0.1009000      -1.722600    
 O   -2.520700       2.505900      0.3401000    
 N   -1.420700     -0.1315000      0.3980000    
 C   0.9598000     -0.3450000      0.1351000    
 C   0.8985000      -1.786100      0.6800000    
 C    2.072200     -0.2799000     -0.9293000    
 C    1.147800      0.6218000       1.324100    
 C    2.434300       1.108000      -1.463000    
 C    1.067100       2.110400      0.9814000    
 C  -0.3819000     -0.1068000     -0.5168000    
 C    3.223600       1.936000     -0.4550000    
 C    2.375400       2.742300      0.5210000    
 C   0.6131000      -2.759000     -0.4732000    
 C    2.197400      -2.106600       1.414600    
 C   -2.801000      9.1300003E-02  3.2800000E-02
 C   0.4743000      -4.205200     -1.9300001E-02
 C   -2.946400       1.499100     -0.5712000    
 C   -3.669400     -9.7000003E-03   1.294100    
 C   -3.234400     -0.9859000     -0.9708000    
 H   9.3999997E-02  -1.900100       1.417600    
 H    1.790700     -0.8546000      -1.820000    
 H    3.006800     -0.7227000     -0.5766000    
 H    2.127200      0.4783000       1.792100    
 H   0.4225000      0.4204000       2.121200    
 H    1.557700       1.655400      -1.824300    
 H    3.078500      0.9579000      -2.339500    
 H   0.7397000       2.654300       1.877200    
 H   0.2913000       2.297700      0.2317000    
 H    3.863900       2.641300      -1.000000    
 H    3.910100       1.289300      0.1057000    
 H    2.992300       2.973800       1.398800    
 H    2.136900       3.712300      6.5800004E-02
 H    1.417100      -2.758800      -1.215400    
 H  -0.3139000      -2.506800     -0.9973000    
 H    3.067300      -2.202000      0.7607000    
 H    2.099000      -3.082500       1.906500    
 H    2.435200      -1.423500       2.231000    
 H   -1.239900     -0.3392000       1.373000    
 H   0.1657000      -4.834300     -0.8609000    
 H  -0.2819000      -4.300400      0.7665000    
 H    1.420700      -4.605100      0.3560000    
 H   -2.374700       1.620200      -1.496000    
 H   -3.997000       1.695700     -0.8160000    
 H   -4.724500      0.1807000       1.068100    
 H   -3.598500      -1.008700       1.740700    
 H   -3.354300      0.7054000       2.062700    
 H   -2.715200     -0.9044000      -1.930500    
 H   -4.307000     -0.9084000      -1.183400    
 H   -3.044700      -1.991900     -0.5784000    
 H   -2.649800       3.363100     -0.1003000    


%chk=000091878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091878

0 1
O -0.533850 0.176713 -1.764389
O -2.724384 2.581958 0.286420
N -1.438942 -0.060220 0.360926
C 1.034205 -0.335661 0.111421
C 1.002233 -1.831786 0.660726
C 2.110059 -0.196596 -1.006427
C 1.277146 0.651732 1.306931
C 2.473938 1.227628 -1.502786
C 1.076806 2.156874 0.980446
C -0.370224 -0.045845 -0.521204
C 3.249387 2.085348 -0.469680
C 2.356737 2.895880 0.507051
C 0.718105 -2.867301 -0.467529
C 2.267478 -2.220724 1.465530
C -2.885633 0.087133 -0.000016
C 0.223432 -4.233273 0.057648
C -3.123390 1.497995 -0.618526
C -3.686100 -0.050629 1.314540
C -3.307929 -0.999529 -1.019004
H 0.145912 -1.889519 1.370500
H 1.758550 -0.775802 -1.878633
H 3.044307 -0.674960 -0.650189
H 2.305882 0.503540 1.685994
H 0.611261 0.365085 2.148679
H 1.563788 1.750603 -1.850400
H 3.110682 1.097671 -2.400385
H 0.682237 2.679489 1.874262
H 0.300872 2.255911 0.194438
H 3.916405 2.796130 -0.996477
H 3.920287 1.414336 0.105610
H 2.963235 3.185166 1.388947
H 2.046780 3.842110 0.020539
H 1.637549 -3.013460 -1.068003
H -0.041654 -2.459190 -1.161945
H 3.181998 -2.153947 0.848637
H 2.185826 -3.263360 1.821273
H 2.407997 -1.584087 2.356171
H -1.237210 -0.234924 1.347418
H -0.000346 -4.919611 -0.779535
H -0.703352 -4.115634 0.651790
H 0.973556 -4.729838 0.699885
H -2.591083 1.564958 -1.585641
H -4.204893 1.645138 -0.777524
H -4.768352 -0.025187 1.099586
H -3.465753 -1.011302 1.817773
H -3.458690 0.787549 1.997644
H -2.694900 -0.934816 -1.932919
H -4.371113 -0.869138 -1.292977
H -3.186006 -2.006867 -0.580831
H -1.737548 2.556661 0.380933


