%chk=000002391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002391

0 1
 O    5.184900     -0.9634000     -7.3399998E-02
 O   -4.212800      -2.591200      0.3339000    
 O    4.209800      -2.974100     -0.7705000    
 O   -5.223700      -1.151700      -1.210600    
 N  -0.9093000       2.356900     -0.9955000    
 C   1.8600000E-02   1.103900      0.8574000    
 C    1.383900      0.5571000      0.6112000    
 C   -1.140800      9.1899998E-02  0.7138000    
 C  -0.2908000       2.456500      0.1765000    
 C    2.061900     -0.1112000       1.630700    
 C   -2.214200      0.2203000       1.552600    
 C    1.983200      0.7150000     -0.6384000    
 C   -1.031400     -0.8791000     -0.2444000    
 C   9.1899998E-02   3.587400      0.8288000    
 C    3.339500     -0.6217000       1.400400    
 C   -3.259900     -0.6938000       1.423300    
 C    3.260700      0.2042000     -0.8686000    
 C   -2.077200      -1.793000     -0.3738000    
 C    3.938800     -0.4640000      0.1507000    
 C   -3.191400      -1.700400      0.4601000    
 C  -0.2010000       4.787100      0.1900000    
 C   -1.177300       3.542900      -1.586500    
 C  -0.8475000       4.773100      -1.041000    
 C    5.196600      -2.283000     -0.5543000    
 C   -5.213200      -2.193300     -0.5681000    
 C    6.609200      -2.739500     -0.7684000    
 C   -6.288300      -3.237000     -0.6359000    
 H   1.3300000E-02   1.344700       1.934600    
 H    1.607700     -0.2447000       2.609000    
 H   -2.274900       1.002300       2.302500    
 H    1.480200       1.216800      -1.459000    
 H  -0.1882000     -0.9686000     -0.9183000    
 H   0.5979000       3.582500       1.786300    
 H    3.862000      -1.141500       2.198800    
 H   -4.125200     -0.6158000       2.076000    
 H    3.720900      0.3279000      -1.845200    
 H   -2.019200      -2.572900      -1.128400    
 H   7.5000003E-02   5.731200      0.6500000    
 H   -1.682400       3.477400      -2.544700    
 H   -1.085400       5.696100      -1.557300    
 H    7.097100      -2.096200      -1.504700    
 H    6.605500      -3.765100      -1.148200    
 H    7.151000      -2.719600      0.1803000    
 H   -5.863400      -4.182400     -0.9819000    
 H   -7.058200      -2.919500      -1.344900    
 H   -6.747600      -3.357900      0.3483000    


%chk=000002391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002391

0 1
O 4.995093 -1.657788 0.272879
O -4.549237 -2.263783 -0.329899
O 5.611616 -1.395997 -1.988538
O -5.883534 -2.144588 1.610959
N -0.263325 2.474368 -1.299955
C -0.030394 1.181733 0.817643
C 1.318923 0.472939 0.596928
C -1.231983 0.261970 0.531145
C -0.149224 2.514472 0.064799
C 1.935669 -0.178374 1.697031
C -2.235799 0.094852 1.513907
C 1.960313 0.409332 -0.664073
C -1.376052 -0.421987 -0.703604
C -0.150516 3.741825 0.775243
C 3.150910 -0.871593 1.542997
C -3.366863 -0.726922 1.301049
C 3.183292 -0.276722 -0.842158
C -2.492783 -1.244141 -0.939555
C 3.768704 -0.917722 0.273668
C -3.480603 -1.393107 0.060182
C -0.280802 4.955721 0.065079
C -0.385402 3.651309 -1.975539
C -0.404635 4.914429 -1.341832
C 5.829964 -1.851323 -0.847375
C -5.672680 -2.580248 0.460212
C 7.014596 -2.695882 -0.430713
C -6.564899 -3.522813 -0.318188
H -0.081185 1.434156 1.894130
H 1.457043 -0.150277 2.683363
H -2.143139 0.616217 2.474977
H 1.501871 0.915640 -1.519720
H -0.618322 -0.303125 -1.481689
H -0.051886 3.741521 1.865958
H 3.631722 -1.377158 2.385837
H -4.129705 -0.845151 2.070441
H 3.665699 -0.311287 -1.819101
H -2.615944 -1.776616 -1.887440
H -0.287061 5.912254 0.598552
H -0.472231 3.569987 -3.065400
H -0.511558 5.828744 -1.933578
H 7.551863 -2.214514 0.404355
H 7.691667 -2.826643 -1.286818
H 6.669743 -3.682064 -0.073942
H -6.902908 -3.040325 -1.251750
H -7.435033 -3.796626 0.295358
H -6.004688 -4.430092 -0.602628


