%chk=000012847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012847

0 1
 O  -0.4573000       2.526900      0.1761000    
 O   -1.220200      -1.895000      0.9263000    
 O    3.074200     -0.4742000     -0.1240000    
 N    1.325200       1.056500     -0.1181000    
 N   0.9246000      -1.263900      0.2730000    
 C  -0.9718000      0.2068000     -0.2278000    
 C   -1.097400     -2.7899999E-02  -1.744500    
 C   -2.363300      0.5425000      0.3362000    
 C  -3.4000002E-02   1.386000     -1.4200000E-02
 C  -0.4597000      -1.079700      0.4030000    
 C   -2.044200      -1.169500      -2.037900    
 C   -2.285400      0.8706000       1.810600    
 C    1.863800     -0.2476000     -1.8700000E-02
 C    2.282600       2.153100     -0.2198000    
 C    1.463000      -2.584900      0.5798000    
 H  -0.1217000     -0.2583000      -2.190400    
 H   -1.452900      0.8813000      -2.246000    
 H   -3.062900     -0.2941000      0.2353000    
 H   -2.808400       1.392900     -0.1957000    
 H   -1.742800      -2.114800      -1.579800    
 H   -3.078800     -0.9500000      -1.762700    
 H   -2.055500      -1.346700      -3.120200    
 H   -1.828000      7.3899999E-02   2.403700    
 H   -1.750100       1.798200       2.025800    
 H   -3.300700       1.008900       2.200700    
 H    2.761500       2.281400      0.7560000    
 H    1.797600       3.088500     -0.5110000    
 H    3.053200       1.905100     -0.9562000    
 H   0.6848000      -3.352500      0.5615000    
 H    1.912400      -2.548200       1.577100    
 H    2.240900      -2.846500     -0.1439000    


%chk=000012847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012847

0 1
O -0.444678 2.540684 -0.353145
O -1.186105 -2.109321 0.610141
O 3.126869 -0.387815 0.261853
N 1.341797 1.077762 -0.066503
N 0.969960 -1.270763 0.363340
C -0.996757 0.160496 -0.285384
C -1.212226 -0.064475 -1.848654
C -2.341380 0.517973 0.410749
C -0.036530 1.357053 -0.208551
C -0.438632 -1.146101 0.288975
C -2.251660 -1.137150 -2.228122
C -2.202198 0.851904 1.910861
C 1.883303 -0.206826 0.177310
C 2.320466 2.190088 -0.151538
C 1.564714 -2.578638 0.734769
H -0.234634 -0.315566 -2.307304
H -1.518142 0.917653 -2.256573
H -3.019361 -0.343605 0.290753
H -2.774899 1.381319 -0.125276
H -2.021272 -2.117304 -1.777361
H -3.268985 -0.850582 -1.911771
H -2.265741 -1.256901 -3.327028
H -1.791165 -0.003345 2.477913
H -1.555337 1.732858 2.072369
H -3.192574 1.086090 2.340554
H 2.873987 2.282256 0.796740
H 1.753422 3.109641 -0.353738
H 3.043039 1.991913 -0.959005
H 0.737971 -3.293610 0.849702
H 2.123899 -2.488290 1.680042
H 2.261550 -2.908596 -0.051917


