%chk=000156372.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156372

1 1
 O   -2.704100      -2.690500      0.3956000    
 N  -0.8704000      -1.253700      0.2823000    
 N   -1.261500       1.107700      0.2833000    
 N    1.854200       1.278500      0.3326000    
 C    1.850000     -0.8748000     -0.1547000    
 C  -0.4263000      3.4800000E-02  0.2879000    
 C    1.036700      0.1887000      0.1951000    
 C    1.304800      -2.218700     -0.4373000    
 C   5.8400001E-02  -2.425200      0.4058000    
 C    3.197800     -0.4246000     -0.1940000    
 C    3.171900      0.9322000      0.1200000    
 C   -2.283100      -1.551900      0.2571000    
 C   -2.610400      0.8851000      1.1600000E-02
 C   -3.157600     -0.4046000      1.6300000E-02
 C    4.438700      -1.032100     -0.4737000    
 C  -0.8319000       2.483500      0.6196000    
 C    4.328400       1.718600      0.1734000    
 C   -3.499600       1.932500     -0.3080000    
 C   -4.519600     -0.6436000     -0.2255000    
 C    5.604800     -0.2600000     -0.4221000    
 C    5.548200       1.094800     -0.1025000    
 C   -4.858500       1.705800     -0.5568000    
 C   -5.370800      0.4175000     -0.5059000    
 H    1.050800      -2.284500      -1.502000    
 H    2.036700      -3.003400     -0.2191000    
 H  -0.4405000      -3.344200      8.1200004E-02
 H   0.3085000      -2.530700       1.468500    
 H    1.575600       2.221500      0.5506000    
 H    4.498400      -2.086900     -0.7262000    
 H   -1.657300       3.095500      0.9944000    
 H  -0.3876000       2.959400     -0.2583000    
 H  -0.1378000       2.451600       1.463600    
 H    4.284100       2.774600      0.4184000    
 H   -3.157300       2.959800     -0.4008000    
 H   -4.927200      -1.651000     -0.2107000    
 H    6.564300     -0.7236000     -0.6351000    
 H    6.465500       1.677100     -6.9100000E-02
 H   -5.510400       2.540800     -0.7971000    
 H   -6.423900      0.2386000     -0.6993000    


%chk=000156372-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156372

1 1
O -2.666744 -2.780351 0.066240
N -0.889397 -1.265928 0.271191
N -1.278160 1.083330 0.364210
N 1.849584 1.333708 0.306179
C 1.898838 -0.939982 -0.009596
C -0.385326 0.027852 0.328176
C 1.050183 0.164296 0.289839
C 1.343718 -2.319513 -0.209650
C 0.017382 -2.431480 0.550471
C 3.226721 -0.442543 -0.168746
C 3.174093 0.984339 0.043754
C -2.288342 -1.582964 0.067070
C -2.653559 0.903283 0.009130
C -3.159096 -0.418819 -0.145853
C 4.474787 -1.065270 -0.471576
C -0.848992 2.422574 0.842609
C 4.326517 1.798876 -0.028764
C -3.514698 2.009240 -0.205862
C -4.518156 -0.627195 -0.487670
C 5.616996 -0.259185 -0.546282
C 5.541179 1.156205 -0.326591
C -4.861217 1.784863 -0.554041
C -5.372778 0.469368 -0.688821
H 1.203939 -2.523061 -1.290327
H 2.033720 -3.093612 0.170025
H -0.552296 -3.332690 0.279478
H 0.200229 -2.446521 1.641807
H 1.543391 2.286758 0.472572
H 4.539439 -2.144997 -0.639173
H -1.701949 2.905665 1.339627
H -0.507341 3.071749 0.016337
H -0.073202 2.307151 1.614123
H 4.287482 2.880120 0.135658
H -3.153551 3.038160 -0.142031
H -4.870741 -1.658563 -0.584481
H 6.588568 -0.707680 -0.774175
H 6.457961 1.751137 -0.393158
H -5.515314 2.644771 -0.729009
H -6.421867 0.311509 -0.953590


