%chk=000095364.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095364

0 1
 O  -0.4553000     -1.6200000E-02   2.000900    
 N    2.927400       3.169000     -0.8667000    
 C    1.557000       1.341400      0.4549000    
 C   4.4500001E-02   1.546100      0.2264000    
 C    2.030500     -5.4600000E-02  8.3300002E-02
 C  -0.8509000      0.5196000      0.9481000    
 C   -2.142800      0.1655000      0.3823000    
 C    1.426200     -0.7065000     -0.9733000    
 C    3.051600     -0.6307000      0.8127000    
 C    2.323400       2.365500     -0.2866000    
 C    1.860800      -1.987300      -1.314400    
 C    3.486100      -1.911600      0.4714000    
 C   -2.853200       1.099100     -0.3724000    
 C   -2.671700      -1.107900      0.5939000    
 C    2.890700      -2.589700     -0.5922000    
 C   -4.092400      0.7595000     -0.9154000    
 C   -3.910800      -1.447400      5.0900001E-02
 C   -4.621100     -0.5138000     -0.7038000    
 H    1.740700       1.486100       1.528800    
 H  -0.1875000       1.557400     -0.8451000    
 H  -0.2424000       2.534200      0.6120000    
 H   0.6416000     -0.2642000      -1.576100    
 H    3.522200     -0.1099000       1.641300    
 H   -2.475300       2.103600     -0.5405000    
 H   -2.131100      -1.850800       1.174600    
 H    1.401400      -2.513500      -2.146200    
 H    4.288600      -2.380600       1.033300    
 H    3.230100      -3.586400     -0.8589000    
 H   -4.647500       1.487400      -1.499800    
 H   -4.322200      -2.439100      0.2145000    
 H   -5.586200     -0.7781000      -1.126000    


%chk=000095364-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095364

0 1
O -0.447342 0.058420 2.025347
N 2.659267 3.455128 -0.536958
C 1.480198 1.235810 0.363465
C -0.025506 1.248414 -0.058353
C 2.200564 -0.039231 -0.111016
C -0.904544 0.436211 0.905469
C -2.320137 0.139557 0.513007
C 2.780261 -0.117119 -1.402021
C 2.249023 -1.171101 0.740229
C 2.140338 2.458855 -0.133874
C 3.395097 -1.311709 -1.838014
C 2.863554 -2.365834 0.302064
C -2.889860 0.597654 -0.706675
C -3.120384 -0.622765 1.408713
C 3.437223 -2.441063 -0.987934
C -4.231992 0.297992 -1.021942
C -4.458262 -0.924407 1.090847
C -5.017896 -0.464364 -0.126357
H 1.502498 1.258481 1.471182
H -0.124358 0.870560 -1.091496
H -0.410893 2.288588 -0.061849
H 2.771146 0.761376 -2.058832
H 1.797069 -1.114684 1.736383
H -2.297393 1.190064 -1.411633
H -2.665877 -0.962873 2.345050
H 3.847015 -1.358255 -2.835127
H 2.896942 -3.234235 0.969346
H 3.917331 -3.366426 -1.325166
H -4.665053 0.655488 -1.962212
H -5.066520 -1.514156 1.784933
H -6.059110 -0.698276 -0.374676


