%chk=000170929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170929

0 1
 O    1.605600       1.928200      0.8010000    
 O    2.053900       1.036700      -1.234700    
 N    1.242700      -1.443600     -0.4917000    
 N   -3.748000      0.5109000     -0.6998000    
 N   0.7388000      -2.653100      7.0600003E-02
 C  -0.3907000     -0.2213000      0.9494000    
 C    1.068500     -0.3775000      0.4944000    
 C   -1.385500      0.1195000     -0.1689000    
 C   -2.813500      0.1948000      0.3739000    
 C    1.628200      0.9055000     -9.4300002E-02
 H  -0.4398000      0.5790000       1.700300    
 H  -0.7274000      -1.124500       1.474000    
 H    1.692400     -0.6039000       1.370800    
 H   -1.339700     -0.6402000     -0.9583000    
 H   -1.113000       1.078300     -0.6266000    
 H   -2.882600      0.9620000       1.152800    
 H   -3.097400     -0.7632000      0.8223000    
 H    2.233400      -1.561200     -0.7030000    
 H   -3.510800       1.414800      -1.106700    
 H   -4.685900      0.6088000     -0.3134000    
 H   0.7920000      -3.389500     -0.6319000    
 H    1.344500      -2.952100      0.8345000    
 H    1.965200       2.756600      0.4181000    


%chk=000170929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170929

0 1
O 1.458192 1.975264 0.702003
O 2.264629 0.864512 -1.166254
N 1.155420 -1.531849 -0.380491
N -3.748809 0.660426 -0.753821
N 1.147720 -2.808175 0.234158
C -0.435669 -0.194417 1.031975
C 1.032167 -0.408379 0.567278
C -1.392749 0.216164 -0.104603
C -2.863865 0.245423 0.355296
C 1.637945 0.831063 -0.081156
H -0.445824 0.557161 1.844206
H -0.755652 -1.163169 1.462642
H 1.637979 -0.593298 1.488277
H -1.291982 -0.489568 -0.948490
H -1.112874 1.222753 -0.483489
H -2.943533 0.893956 1.264525
H -3.161041 -0.775338 0.666597
H 1.856476 -1.370903 -1.117650
H -3.511157 1.578403 -1.144576
H -4.750163 0.581498 -0.550457
H 0.498943 -3.465294 -0.201307
H 2.057422 -3.209275 0.495327
H 1.897323 2.748043 0.252811


