%chk=000080625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080625

0 1
 O   0.1290000       1.996600     -0.3132000    
 O    6.793500      0.3819000      0.4018000    
 O    6.327200      -1.654100     -0.2737000    
 O   -6.622800      0.9221000     -0.1742000    
 O   -6.658000      -1.240400      0.2017000    
 N  -0.4284000     -0.2494000      7.4100003E-02
 N    5.968900     -0.4952000      4.8000000E-02
 N   -6.032300     -0.1679000      1.9900000E-02
 C    1.875500      0.4803000     -6.4800002E-02
 C   -1.844800     -0.2289000      6.0400002E-02
 C   0.4617000      0.8185000     -0.1055000    
 C    2.810300       1.438600      0.3269000    
 C    2.297000     -0.8014000     -0.4186000    
 C   -2.501300      0.9709000     -0.1532000    
 C   -2.540100      -1.409000      0.2610000    
 C    4.588200     -0.1667000      1.1000000E-02
 C   -4.612700     -0.1886000      3.3599999E-02
 C    4.166700       1.115100      0.3647000    
 C    3.653300      -1.124900     -0.3806000    
 C   -3.896000      0.9911000     -0.1667000    
 C   -3.934800      -1.388700      0.2474000    
 H  -4.1700002E-02  -1.166600      0.2796000    
 H    2.502300       2.441500      0.6112000    
 H    1.611600      -1.568400     -0.7672000    
 H   -2.019700       1.923400     -0.3157000    
 H   -2.021600      -2.349000      0.4282000    
 H    4.866500       1.886600      0.6756000    
 H    3.946700      -2.130500     -0.6712000    
 H   -4.391800       1.943700     -0.3362000    
 H   -4.460000      -2.327000      0.4070000    


%chk=000080625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080625

0 1
O 0.124631 2.056323 -0.181466
O 6.920020 0.416520 0.404510
O 6.455757 -1.701231 -0.305627
O -6.777375 0.896419 -0.221861
O -6.747279 -1.345361 0.206205
N -0.455638 -0.205706 0.086959
N 6.102046 -0.507881 0.033202
N -6.156051 -0.213507 0.002965
C 1.913843 0.428964 -0.043139
C -1.871032 -0.146067 0.061913
C 0.462373 0.841931 -0.061794
C 2.859339 1.416196 0.338730
C 2.365430 -0.862627 -0.426486
C -2.594498 1.057296 -0.176176
C -2.575379 -1.364940 0.283295
C 4.650234 -0.179665 0.002850
C -4.678424 -0.190666 0.024189
C 4.233188 1.118208 0.370658
C 3.738177 -1.175262 -0.405642
C -3.999821 1.027894 -0.195504
C -3.976900 -1.393494 0.266084
H -0.062222 -1.129215 0.283809
H 2.492633 2.413576 0.598681
H 1.664188 -1.622469 -0.790319
H -2.051043 1.989164 -0.335116
H -2.019762 -2.292289 0.469271
H 4.978269 1.860051 0.668855
H 4.112091 -2.157825 -0.704217
H -4.579063 1.936931 -0.377184
H -4.535331 -2.317670 0.433655


