%chk=000080624.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080624

0 1
 O    1.844300      9.6100003E-02  0.5411000    
 N   0.4539000      -2.307300      8.6099997E-02
 C   0.4997000      0.1190000      0.3191000    
 C   -2.252400      0.2094000     -0.1285000    
 C  -0.2091000      -1.060700      9.2399999E-02
 C   -1.585100      -1.015500     -0.1315000    
 C  -0.1675000       1.343900      0.3224000    
 C   -1.543600       1.389000      9.8499998E-02
 C    2.664100      0.8186000     -0.3750000    
 C   -3.723700      0.2581000     -0.3674000    
 C    4.019500      0.1493000     -0.4573000    
 H   -2.138600      -1.934800     -0.3103000    
 H   0.3691000       2.270700      0.5062000    
 H   -2.052000       2.349600      0.1036000    
 H    2.212100      0.8409000      -1.374500    
 H    2.778700       1.847100     -1.5799999E-02
 H   -4.217000     -0.6356000      2.9800000E-02
 H   -4.178000       1.121900      0.1298000    
 H   -3.928000      0.3249000      -1.440500    
 H    4.679600      0.6856000      -1.144800    
 H    4.492100      0.1123000      0.5299000    
 H    3.917500     -0.8857000     -0.8001000    
 H  -6.6200003E-02  -3.158600     -7.9599999E-02
 H    1.452200      -2.346000      0.2447000    


%chk=000080624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080624

0 1
O 1.885067 -0.291347 -0.171121
N 0.328375 -2.451700 -0.014426
C 0.492441 -0.033515 -0.155876
C -2.338655 0.206121 -0.108338
C -0.312042 -1.215859 -0.071285
C -1.720477 -1.070337 -0.049192
C -0.106420 1.236265 -0.214640
C -1.520376 1.355539 -0.190775
C 2.786449 0.868109 -0.255967
C -3.854576 0.321811 -0.083311
C 4.215201 0.329497 -0.254057
H -2.344740 -1.971633 0.015540
H 0.507124 2.140431 -0.278440
H -1.978445 2.349712 -0.237140
H 2.570655 1.434330 -1.185875
H 2.607305 1.537314 0.611176
H -4.280349 -0.122932 0.836531
H -4.176149 1.376951 -0.124795
H -4.315845 -0.203478 -0.941590
H 4.936176 1.165026 -0.314340
H 4.416338 -0.238558 0.670559
H 4.381816 -0.337853 -1.117136
H -0.201207 -3.314582 0.046995
H 1.343936 -2.477111 -0.034198


