%chk=000080996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080996

0 1
 O   -1.462200      -1.102500     -0.1756000    
 O   -3.388900      -1.702600      -1.283300    
 O   -6.030800     -0.7268000      0.1580000    
 O   -4.836700     -0.6936000       1.999800    
 N   -5.094400     -0.2640000      0.8509000    
 C    3.793000     -0.5815000     -0.3280000    
 C    5.197700     -0.6425000      0.2788000    
 C    2.820100      -1.589600      0.2873000    
 C    6.150100      0.4148000     -0.2840000    
 C    1.442900      -1.506100     -0.3761000    
 C    7.514000      0.3556000      0.4080000    
 C   0.4594000      -2.493600      0.2589000    
 C    8.455500       1.435400     -0.1250000    
 C  -0.9286000      -2.405200     -0.3637000    
 C    9.800100       1.401100      0.5838000    
 C   -2.706100     -0.8846000     -0.6867000    
 C   -3.147000      0.5090000     -0.4260000    
 C   -4.296500      0.7849000      0.3146000    
 C   -2.381400       1.555000     -0.9410000    
 C   -4.680100       2.107000      0.5401000    
 C   -2.765300       2.877100     -0.7156000    
 C   -3.914700       3.153000      2.4900001E-02
 H    3.864500     -0.7568000      -1.408700    
 H    3.390100      0.4307000     -0.1978000    
 H    5.620300      -1.640500      0.1092000    
 H    5.118900     -0.5130000       1.365500    
 H    2.725900      -1.395900       1.362600    
 H    3.222200      -2.603600      0.1745000    
 H    5.711900       1.410600     -0.1460000    
 H    6.273000      0.2616000      -1.362800    
 H    1.059500     -0.4831000     -0.2817000    
 H    1.535400      -1.718900      -1.448000    
 H    7.382700      0.4867000       1.489100    
 H    7.962300     -0.6335000      0.2544000    
 H   0.3835000      -2.274500       1.331100    
 H   0.8394000      -3.516300      0.1553000    
 H    8.003800       2.424700      1.1900000E-02
 H    8.610800       1.295500      -1.201100    
 H   -1.585900      -3.139700      0.1163000    
 H  -0.8717000      -2.628900      -1.435600    
 H    10.29370      0.4344000      0.4418000    
 H    9.681800       1.572200       1.658500    
 H    10.45800       2.180200      0.1862000    
 H   -1.485000       1.355800      -1.522800    
 H   -5.573400       2.337900       1.115400    
 H   -2.169700       3.691600      -1.117400    
 H   -4.213500       4.182300      0.2001000    


%chk=000080996-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080996

0 1
O -1.499815 -1.104844 -0.121889
O -3.453020 -1.761238 -1.218347
O -6.675607 -0.088918 0.781942
O -4.816724 -1.303531 1.312015
N -5.399237 -0.275824 0.797126
C 3.874756 -0.550884 -0.320349
C 5.264934 -0.592476 0.353266
C 2.866670 -1.547044 0.295106
C 6.270542 0.410381 -0.255914
C 1.474050 -1.493863 -0.371466
C 7.658487 0.375802 0.422759
C 0.471507 -2.486411 0.257988
C 8.661704 1.383926 -0.182983
C -0.913798 -2.461876 -0.384960
C 10.044072 1.346152 0.503773
C -2.796525 -0.910215 -0.578403
C -3.254741 0.494655 -0.289418
C -4.538794 0.796753 0.229294
C -2.434853 1.577240 -0.688556
C -5.020390 2.118259 0.315443
C -2.894506 2.909725 -0.593147
C -4.192270 3.180883 -0.102500
H 3.986321 -0.763237 -1.404370
H 3.463785 0.477955 -0.246178
H 5.679256 -1.619647 0.276117
H 5.152155 -0.384530 1.437994
H 2.760720 -1.337100 1.379990
H 3.274543 -2.576900 0.216468
H 5.853680 1.437016 -0.182532
H 6.387597 0.200187 -1.339874
H 1.065674 -0.467254 -0.290699
H 1.576417 -1.711159 -1.455553
H 7.542267 0.583417 1.507295
H 8.079483 -0.648843 0.347012
H 0.369492 -2.282878 1.341521
H 0.862814 -3.520291 0.163427
H 8.238661 2.406837 -0.108831
H 8.779003 1.174673 -1.266043
H -1.598919 -3.212369 0.048109
H -0.875328 -2.611114 -1.480270
H 10.502484 0.342772 0.417098
H 9.957106 1.581594 1.581453
H 10.741789 2.076199 0.053598
H -1.438151 1.362297 -1.084886
H -6.021607 2.292411 0.718695
H -2.243113 3.731659 -0.907146
H -4.553974 4.211450 -0.033074


