%chk=000018236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018236

0 1
 O   -1.488700      0.2554000     -0.3902000    
 O   0.3657000     -0.4332000       1.722800    
 O  -0.5644000      -1.806500     -0.8174000    
 N   -4.699600     -0.9544000     -3.9999999E-02
 C   -2.698700     -0.1605000      -1.007800    
 C   -3.740500      0.9533000     -0.9361000    
 C   -3.294800      -1.326800     -0.2216000    
 C   -4.698600      0.4947000      0.1517000    
 C   0.7500000     -0.1170000      0.3692000    
 C   -5.326600      -1.663500       1.064900    
 C  -0.4772000     -0.6746000     -0.3565000    
 C   0.9339000       1.394200      0.2103000    
 C    2.037100     -0.8639000      1.2100000E-02
 C   0.6495000       1.967400      -1.007700    
 C    2.954400      -1.108600       1.008000    
 C    1.375900       2.121000       1.291600    
 C    2.227500      -1.262400      -1.291000    
 C   0.1929000      -1.827300       1.881700    
 C   0.8168000       3.344600      -1.152500    
 C    4.127400      -1.789600      0.6827000    
 C    1.543000       3.498200       1.146500    
 C    3.400600      -1.943500      -1.616100    
 C    1.263500       4.110000     -7.5499997E-02
 C    4.350600      -2.207000     -0.6292000    
 H   -2.504600     -0.4162000      -2.056800    
 H   -4.277100       1.017300      -1.890900    
 H   -3.309600       1.934100     -0.7123000    
 H   -3.221800      -2.264900     -0.7817000    
 H   -2.799600      -1.459800      0.7467000    
 H   -4.312600      0.7767000       1.139700    
 H   -5.693800      0.9310000      2.1700000E-02
 H   -4.832500      -1.467000       2.023400    
 H   -5.308800      -2.743800      0.8845000    
 H   -6.378600      -1.372300       1.156400    
 H   0.3276000       1.390400      -1.868700    
 H    2.817000     -0.7742000       2.031300    
 H    1.607400       1.663800       2.248100    
 H    1.519800      -1.043800      -2.083800    
 H   0.7492000      -2.503800       1.227300    
 H  -0.8720000      -2.074200       1.825700    
 H   0.4929000      -2.069700       2.907500    
 H   0.6055000       3.820200      -2.105900    
 H    4.869900      -1.989700       1.449700    
 H    1.893200       4.094100       1.984300    
 H    3.578100      -2.262100      -2.639100    
 H    1.395600       5.182000     -0.1888000    
 H    5.265400      -2.734500     -0.8830000    


%chk=000018236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018236

0 1
O -1.462982 -0.044877 -0.533607
O 0.583033 -0.873411 1.761053
O -0.628520 -2.203120 -0.725489
N -4.847094 -0.518649 0.162788
C -2.784624 -0.528826 -1.071261
C -3.612534 0.734061 -1.396354
C -3.573161 -1.272720 0.042888
C -4.528997 0.893433 -0.164957
C 0.779891 -0.440666 0.341345
C -5.578583 -0.741311 1.416083
C -0.473022 -1.000093 -0.392899
C 0.785361 1.098987 0.381825
C 2.110376 -0.975959 -0.214311
C 1.263941 1.827300 -0.734808
C 3.278709 -0.707227 0.547556
C 0.292280 1.801164 1.506464
C 2.236323 -1.671590 -1.440008
C 0.716704 -2.315846 2.036481
C 1.245197 3.238626 -0.729995
C 4.545204 -1.130131 0.097274
C 0.283859 3.214111 1.514982
C 3.509697 -2.085904 -1.897844
C 0.754886 3.939181 0.396645
C 4.666303 -1.820464 -1.133097
H -2.566693 -1.167949 -1.941915
H -4.223602 0.548977 -2.296448
H -2.957964 1.601901 -1.576756
H -3.759910 -2.332589 -0.201243
H -2.969328 -1.236500 0.984328
H -3.980448 1.412811 0.661225
H -5.451937 1.460532 -0.378961
H -5.006143 -0.421750 2.324352
H -5.817083 -1.814694 1.525550
H -6.532154 -0.183869 1.396853
H 1.662295 1.292829 -1.604839
H 3.180222 -0.162585 1.493495
H -0.070906 1.234556 2.367081
H 1.348870 -1.909795 -2.032390
H 1.729051 -2.680961 1.783201
H -0.033397 -2.908259 1.481480
H 0.546142 -2.402956 3.121276
H 1.618933 3.790396 -1.600051
H 5.436552 -0.917303 0.698089
H -0.093725 3.748619 2.394372
H 3.593302 -2.622944 -2.849373
H 0.745671 5.035158 0.404017
H 5.650304 -2.146094 -1.488896


