%chk=000118854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118854

0 1
 O   -4.380800       2.563400     -0.8014000    
 O   -5.193700      -2.444500      0.8701000    
 O   -6.353000       2.530500      -1.804000    
 O   -5.806800      -4.286200     -0.1921000    
 O   -6.181500       3.527000      0.2674000    
 O   -3.578500      -3.696100     -0.1968000    
 O    8.905100     -0.5083000      -2.065100    
 O    9.243000     -0.3717000      9.9699996E-02
 N   -3.078500      0.5533000      0.6817000    
 N    2.400500     -0.4268000      1.5100000E-02
 N    3.010400      0.6561000     -0.1389000    
 N    8.481700     -0.3328000     -0.8970000    
 N    4.371800      0.7238000       3.201900    
 C   -3.533600       1.780100       1.305200    
 C   -4.057100     -0.4226000      0.2458000    
 C   -1.700000      0.3066000      0.5135000    
 C   -3.536400       2.909600      0.2893000    
 C   -4.205700      -1.513200       1.293100    
 C   -1.270600     -0.8831000     -7.4500002E-02
 C  -0.7657000       1.252400      0.9365000    
 C   9.2699997E-02  -1.127200     -0.2401000    
 C   0.5978000       1.008400      0.7712000    
 C    1.026800     -0.1813000      0.1826000    
 C   -5.690900       2.933600     -0.6837000    
 C   -4.742100      -3.497800      0.1260000    
 C    4.380500      0.4108000     -0.3055000    
 C    5.245100      0.3624000      0.7881000    
 C    4.874600      0.2124000      -1.595000    
 C    7.098500     -8.1900001E-02 -0.6968000    
 C    6.604100      0.1160000      0.5924000    
 C    6.233700     -3.3799998E-02  -1.790500    
 C   -7.749200       2.844000      -1.843100    
 C   -5.505100      -5.445100     -0.9764000    
 C    4.762800      0.5620000       2.121300    
 H   -2.957200       2.038000       2.200500    
 H   -4.558000       1.634900       1.672600    
 H   -3.844100     -0.8234000     -0.7523000    
 H   -5.038700      5.2999999E-02  0.1159000    
 H   -3.848300       3.850600      0.7579000    
 H   -2.542200       3.092400     -0.1285000    
 H   -3.264300      -2.017600       1.537900    
 H   -4.561600      -1.076700       2.234000    
 H   -1.943300      -1.652600     -0.4314000    
 H   -1.032000       2.192300       1.406700    
 H   0.4192000      -2.055700     -0.7012000    
 H    1.293000       1.761300       1.134400    
 H    4.209600      0.2487000      -2.454100    
 H    7.262500      8.2000002E-02   1.458300    
 H    6.583300     -0.1832000      -2.808900    
 H   -8.270600       2.352600      -1.016100    
 H   -7.895300       3.927600      -1.803500    
 H   -8.155400       2.469100      -2.786400    
 H   -5.075200      -5.149900      -1.938200    
 H   -4.820800      -6.103000     -0.4321000    
 H   -6.438500      -5.984000      -1.159600    


%chk=000118854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118854

0 1
O -4.779018 2.715725 -0.655633
O -5.339814 -2.561575 0.512709
O -6.914820 2.733259 -1.289309
O -5.808795 -4.267727 -0.842561
O -6.401671 3.422220 0.898081
O -3.600338 -3.474391 -0.782042
O 9.185631 -1.722411 -1.162198
O 9.665815 0.307227 -0.230620
N -3.098688 0.503530 0.647072
N 2.419907 -0.496139 -0.151733
N 3.284375 0.430802 0.230620
N 8.833340 -0.606324 -0.610984
N 4.838772 3.338678 1.503938
C -3.600943 1.722570 1.309395
C -4.105295 -0.436033 0.113717
C -1.733369 0.277057 0.461451
C -3.726876 2.941843 0.374356
C -4.361085 -1.603917 1.095938
C -1.258007 -0.940581 -0.138071
C -0.756811 1.256852 0.866923
C 0.111577 -1.148951 -0.320015
C 0.607259 1.037010 0.685043
C 1.073060 -0.175196 0.082877
C -6.071135 3.002038 -0.235225
C -4.799191 -3.440998 -0.412046
C 4.638622 0.091792 -0.015156
C 5.603122 1.077075 0.388310
C 5.092435 -1.119907 -0.615409
C 7.390747 -0.363514 -0.404522
C 6.983838 0.845716 0.191624
C 6.458964 -1.351622 -0.811531
C -8.349692 3.012412 -1.023577
C -5.398298 -5.281704 -1.848055
C 5.162642 2.305909 0.996078
H -2.942132 1.994470 2.153944
H -4.591723 1.510102 1.747844
H -3.772713 -0.832764 -0.860247
H -5.043719 0.111987 -0.066186
H -3.979362 3.842674 0.961916
H -2.812281 3.102827 -0.215664
H -3.422648 -2.134150 1.332294
H -4.848009 -1.260175 2.021660
H -1.951590 -1.728014 -0.447801
H -1.072411 2.201268 1.318281
H 0.475585 -2.076479 -0.773853
H 1.344523 1.785828 0.990822
H 4.340935 -1.855138 -0.914707
H 7.732597 1.582614 0.491730
H 6.829847 -2.272270 -1.269657
H -8.707502 2.403773 -0.176622
H -8.492318 4.081674 -0.796110
H -8.859030 2.733961 -1.955641
H -5.016528 -4.785028 -2.755409
H -4.617891 -5.938556 -1.429862
H -6.317890 -5.842929 -2.060281


