%chk=000088462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088462

0 1
 O   -4.576700     -0.2106000       1.011300    
 N    3.295000      0.5511000      0.8421000    
 N    3.079100      -1.566500     -0.2874000    
 N    1.786300       2.318000      0.3668000    
 N    4.774900      -1.212300       1.295000    
 C   0.3685000      0.7098000      -1.543900    
 C  -0.9387000      0.4667000     -0.8688000    
 C    1.567000      0.2120000     -0.7610000    
 C   -1.465000       1.424500     -2.2000000E-03
 C   -1.634700     -0.7191000      -1.103700    
 C    2.228000      0.9906000      0.1430000    
 C   -2.687400       1.196400      0.6298000    
 C   -2.857100     -0.9471000     -0.4718000    
 C    2.018700      -1.062100     -0.9519000    
 C   -3.383600      1.0600000E-02  0.3949000    
 C    3.661500     -0.7182000      0.5811000    
 C   -5.235700      -1.443700      0.7268000    
 H   0.3637000      0.2123000      -2.525200    
 H   0.4718000       1.767300      -1.814400    
 H  -0.9466000       2.360000      0.1833000    
 H   -1.235900      -1.473700      -1.776700    
 H    1.551300      -1.746800      -1.651100    
 H   -3.094100       1.947400       1.301500    
 H   -3.344900      -1.888900     -0.6989000    
 H    1.423500       2.852000     -0.4117000    
 H    2.298400       2.838600       1.069700    
 H    5.087700      -2.159800       1.134200    
 H    5.245100     -0.6131000       1.959200    
 H   -4.645100      -2.302500       1.063200    
 H   -5.511100      -1.518000     -0.3307000    
 H   -6.167800      -1.452100       1.301200    


%chk=000088462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088462

0 1
O -4.551354 -0.343016 1.218699
N 3.074066 1.298271 0.489256
N 3.979759 -0.966630 0.247999
N 0.973212 1.886072 -0.336443
N 5.194702 0.737001 1.306886
C 0.543118 -0.848489 -1.472179
C -0.810224 -0.675126 -0.774372
C 1.758629 -0.426114 -0.664373
C -1.003872 -1.104817 0.567756
C -1.913663 -0.110264 -1.455674
C 1.936330 0.911886 -0.164631
C -2.253516 -0.982326 1.198106
C -3.181381 0.023809 -0.838520
C 2.829412 -1.304108 -0.408180
C -3.349957 -0.417470 0.495955
C 4.043651 0.345364 0.658220
C -5.715121 0.225918 0.536053
H 0.674806 -1.915472 -1.744928
H 0.516603 -0.291357 -2.431934
H -0.158744 -1.531980 1.120136
H -1.791947 0.222648 -2.494691
H 2.772644 -2.345505 -0.752371
H -2.408613 -1.312511 2.229948
H -4.011036 0.463211 -1.400573
H 0.029470 1.639267 -0.629103
H 1.157423 2.802978 0.067112
H 5.932120 0.053088 1.449304
H 5.283299 1.695751 1.629817
H -5.990744 -0.370258 -0.355869
H -5.533785 1.277190 0.237813
H -6.529189 0.185789 1.274480


