%chk=000153918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153918

0 1
 O   -7.167300      0.9975000      0.4374000    
 O   -7.152900      -1.754700      0.3287000    
 N    1.250500       1.828400      0.2989000    
 N   -3.882700     -0.3318000     -0.6500000    
 C   0.3532000      0.7938000      0.3411000    
 C    2.480700     -3.5200000E-02  0.1128000    
 C    1.082100     -0.3926000      0.2269000    
 C    2.534100       1.361600      0.1628000    
 C   -5.336900     -0.3456000     -0.4952000    
 C   -1.728800     -0.3795000      0.4869000    
 C   -3.214700     -0.3823000      0.6252000    
 C   -1.040900      0.8333000      0.4712000    
 C    3.722500     -0.7468000     -2.9200001E-02
 C   0.8909000       3.230600      0.3884000    
 C   0.3516000      -1.603800      0.2464000    
 C   -1.043400      -1.583000      0.3762000    
 C    3.721800       2.092200      8.2800001E-02
 C    4.935600     -7.3000002E-03 -0.1112000    
 C   -5.754000      0.9079000      0.3002000    
 C   -5.738800      -1.654400      0.2115000    
 C   -5.960000     -0.3241000      -1.899400    
 C    4.915700       1.388200     -5.4000001E-02
 C    3.792400      -2.156000     -9.1399997E-02
 C   0.6205000       3.842900     -0.9752000    
 C    6.155400     -0.6881000     -0.2507000    
 C    5.017600      -2.811500     -0.2306000    
 C    6.195900      -2.079800     -0.3104000    
 H   -3.453800      -1.281400       1.200700    
 H   -3.456300      0.4647000       1.274500    
 H   -1.575300       1.774700      0.5495000    
 H   -3.600600      0.5080000      -1.156000    
 H   1.1500000E-02   3.325200       1.033700    
 H    1.696700       3.767300      0.8996000    
 H   0.8422000      -2.567100      0.1626000    
 H   -1.580700      -2.528600      0.3861000    
 H    3.736200       3.176500      0.1179000    
 H   -5.407300       1.823000     -0.1943000    
 H   -5.375900      0.9032000       1.325200    
 H   -5.389900      -2.532500     -0.3440000    
 H   -5.366300      -1.733200       1.235500    
 H   -5.665100      0.5767000      -2.451100    
 H   -7.054800     -0.3362000      -1.861400    
 H   -5.642300      -1.191400      -2.490700    
 H    5.842700       1.956000     -0.1178000    
 H    2.904200      -2.772700     -3.4100000E-02
 H    1.502200       3.778600      -1.621400    
 H   0.3522000       4.898600     -0.8699000    
 H  -0.2036000       3.331400      -1.483600    
 H    7.092400     -0.1379000     -0.3150000    
 H    5.048400      -3.896300     -0.2767000    
 H    7.147900      -2.591300     -0.4186000    
 H   -7.356700       1.813100      0.9318000    
 H   -7.454500      -1.035200      0.9084000    


%chk=000153918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153918

0 1
O -7.683479 0.311085 -0.016407
O -7.060355 -2.158825 0.875241
N 1.500657 2.090226 0.587619
N -4.003915 -0.406731 -0.538611
C 0.475257 1.143442 0.421159
C 2.512922 0.072530 0.067225
C 1.068839 -0.132243 0.102958
C 2.733385 1.453199 0.363321
C -5.455402 -0.696783 -0.417418
C -1.761665 0.205568 0.333453
C -3.273778 0.351675 0.495866
C -0.920695 1.323028 0.528992
C 3.642914 -0.783551 -0.187421
C 1.313365 3.519981 0.865627
C 0.199297 -1.236834 -0.099835
C -1.192284 -1.063172 0.015931
C 4.032977 2.033072 0.414270
C 4.969840 -0.192441 -0.132870
C -6.252178 0.631436 -0.235764
C -5.696301 -1.639581 0.805784
C -5.896175 -1.404499 -1.716421
C 5.128283 1.207640 0.167813
C 3.538819 -2.180243 -0.489846
C 1.199877 4.377272 -0.415081
C 6.115381 -1.014662 -0.381828
C 4.677720 -2.958024 -0.728039
C 5.979809 -2.374694 -0.674917
H -3.571560 -0.050349 1.484241
H -3.516737 1.442713 0.519040
H -1.355651 2.303295 0.757661
H -3.721696 -0.158811 -1.493446
H 0.405000 3.634305 1.484325
H 2.160453 3.867554 1.484753
H 0.591479 -2.227577 -0.344942
H -1.874586 -1.902762 -0.150315
H 4.173891 3.095713 0.636902
H -6.136780 1.256602 -1.146017
H -5.860629 1.186742 0.641929
H -5.032442 -2.514529 0.706398
H -5.439074 -1.107184 1.749782
H -5.726942 -0.751013 -2.595058
H -6.964896 -1.665614 -1.674354
H -5.314579 -2.332983 -1.851140
H 6.142761 1.622266 0.198617
H 2.553878 -2.650909 -0.535613
H 2.112453 4.288890 -1.030028
H 1.058932 5.442064 -0.153701
H 0.342001 4.054023 -1.030389
H 7.110862 -0.556032 -0.337726
H 4.570415 -4.024279 -0.957046
H 6.864178 -2.993068 -0.862915
H -8.203909 1.133692 0.153119
H -7.666336 -1.377522 0.726122


