%chk=000006235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006235

0 1
 O   -1.035000      -2.223800     -0.5328000    
 O   0.2630000       2.808800      0.5936000    
 N    1.602300      -1.682500     -0.3187000    
 N    2.327200       1.061900      0.2964000    
 N   -3.072200     -0.4473000     -0.2079000    
 C    1.513000      -2.828400      0.5812000    
 C    2.640200      -1.857200      0.6927000    
 C   0.7065000     -0.6645000     -0.1315000    
 C    2.770000       2.117100     -0.6104000    
 C    3.281600      0.7231000     -0.7551000    
 C    1.045200      0.6063000      0.1533000    
 C   -4.051000      0.5239000     -0.6926000    
 C   -4.053700      8.6800002E-02  0.7340000    
 C   -1.779900     -2.7799999E-02 -7.7000000E-02
 C  -0.7281000      -1.062500     -0.2677000    
 C  -1.0800000E-02   1.639400      0.3375000    
 C   -1.418400       1.226900      0.2049000    
 H    1.690800      -3.771000      8.5100003E-02
 H   0.7516000      -2.803700       1.347900    
 H    2.638900      -1.219400       1.565000    
 H    3.597900      -2.139600      0.2809000    
 H    3.399800       2.851100     -0.1300000    
 H    2.062700       2.471600      -1.346800    
 H    2.938600      0.1732000      -1.619800    
 H    4.270900      0.5025000     -0.3821000    
 H   -4.779700      8.2900003E-02  -1.360000    
 H   -3.714100       1.512100     -0.9633000    
 H   -3.696600      0.7534000       1.504600    
 H   -4.782600     -0.6503000       1.041500    
 H   -2.126500       2.032300      0.3702000    


%chk=000006235-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006235

0 1
O -1.295467 -2.017246 -0.150849
O 0.530947 3.164164 -0.081146
N 1.526470 -1.601044 -0.022890
N 2.421604 1.085848 -0.024612
N -3.111774 0.034920 -0.465028
C 1.349184 -2.799528 0.850907
C 2.475034 -1.809285 1.129460
C 0.602869 -0.524683 -0.043086
C 3.153051 2.120150 -0.792011
C 3.480215 0.633580 -0.978724
C 1.060638 0.799460 -0.096937
C -4.346205 0.621135 0.091954
C -4.027793 -0.882177 0.230179
C -1.788228 0.356435 -0.248702
C -0.833196 -0.825125 -0.149633
C 0.097378 1.957756 -0.122225
C -1.326120 1.658625 -0.199394
H 1.570083 -3.757502 0.370949
H 0.495564 -2.815661 1.535731
H 2.370053 -1.148671 1.998073
H 3.503370 -2.057956 0.849856
H 3.826382 2.751082 -0.204059
H 2.610073 2.642631 -1.585783
H 3.146191 0.141618 -1.898722
H 4.382925 0.216670 -0.522004
H -5.097655 0.949918 -0.633090
H -4.245406 1.251417 0.985626
H -3.722843 -1.257125 1.213583
H -4.547893 -1.608113 -0.401492
H -2.007850 2.514007 -0.242829


