%chk=000081504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081504

0 1
 O   9.5700003E-02  -2.303800      0.3490000    
 O    3.134700       1.121300     -0.4845000    
 N  -0.6187000     -9.1600001E-02  0.4026000    
 N    1.655600     -0.6392000     -5.8499999E-02
 N   -1.301000       2.247500      0.4418000    
 C  -0.3394000       1.274000      0.2779000    
 C   0.3531000      -1.099900      0.2410000    
 C   -1.991800     -0.4940000      0.7173000    
 C   0.9140000       1.660000     -1.4500000E-02
 C    2.013700      0.6983000     -0.2095000    
 C    2.688500      -1.655500     -0.2319000    
 C   -2.745400     -0.6931000     -0.5555000    
 C   -3.858900     -2.3900000E-02 -0.8752000    
 H   -1.969000      -1.454200       1.247300    
 H   -2.468000      0.2055000       1.411800    
 H    1.171200       2.710200     -0.1212000    
 H    3.669500      -1.219400     -0.4346000    
 H    2.402700      -2.307100      -1.063800    
 H    2.743100      -2.262600      0.6774000    
 H   -2.372400      -1.437600      -1.254700    
 H   -2.271900       2.005400      0.5753000    
 H   -1.048900       3.222900      0.3348000    
 H   -4.366300     -0.2186000      -1.813800    
 H   -4.282200      0.7230000     -0.2128000    


%chk=000081504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081504

0 1
O 0.162892 -2.341768 0.303856
O 3.353327 1.059805 -0.233306
N -0.580917 -0.116956 0.218061
N 1.751106 -0.650191 0.020319
N -1.358939 2.125638 0.131083
C -0.288799 1.248718 0.076896
C 0.447062 -1.112535 0.182603
C -1.955129 -0.597284 0.518018
C 1.025364 1.673746 -0.077536
C 2.130361 0.749782 -0.101215
C 2.817540 -1.674240 -0.018465
C -2.933262 -0.403320 -0.625921
C -4.192476 0.082658 -0.477784
H -1.835015 -1.679025 0.715920
H -2.323354 -0.111817 1.441348
H 1.257976 2.731338 -0.208945
H 3.770381 -1.136381 -0.131729
H 2.657441 -2.360251 -0.866841
H 2.813114 -2.265332 0.912111
H -2.577066 -0.728853 -1.613609
H -2.308822 1.808953 -0.064665
H -1.161651 3.121270 0.069116
H -4.882956 0.148635 -1.324911
H -4.580279 0.395011 0.501294


