%chk=000171819.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171819

0 1
 O  -0.2852000      -1.190000       1.976900    
 O    1.198800       1.588700      -1.497200    
 O   -2.824600     -0.5781000       1.367600    
 O   -3.284200       1.086400     -0.6827000    
 N   -1.779600     -0.2169000      0.5042000    
 N   -1.043000       1.231500      -1.168800    
 C   0.5705000     -0.3014000     -0.1110000    
 C   0.6364000      -1.505500      -1.067600    
 C    1.922700     -0.1446000      0.5998000    
 C  -0.5174000     -0.6066000      0.9190000    
 C   0.2989000      0.9358000     -0.9682000    
 C    1.730700      -1.292200      -2.104800    
 C   0.8706000      -2.788300     -0.2812000    
 C    1.900300       1.018200       1.537100    
 C   -2.131600      0.7041000     -0.4735000    
 C    2.736600       2.058700       1.450400    
 H  -0.3159000      -1.612200      -1.604900    
 H    2.751000      9.9999997E-05 -0.1007000    
 H    2.179100      -1.016100       1.210900    
 H    2.740700      -1.265900      -1.688500    
 H    1.727900      -2.144900      -2.796800    
 H    1.574900     -0.4159000      -2.737300    
 H    1.815700      -2.808200      0.2665000    
 H   0.9201000      -3.631000     -0.9830000    
 H   5.2999999E-02  -3.033600      0.4013000    
 H   -1.248800       1.979000      -1.825800    
 H    1.189500       1.010400       2.358900    
 H    2.682900       2.867300       2.171400    
 H    3.482900       2.126400      0.6667000    
 H   -2.706500      7.5599998E-02   2.078100    


%chk=000171819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171819

0 1
O -0.319898 -1.100654 1.998879
O 1.216682 1.589055 -1.686008
O -2.798382 -0.385084 1.490706
O -3.302348 1.234919 -0.674386
N -1.751178 -0.035084 0.574718
N -1.023876 1.294083 -1.215199
C 0.636944 -0.241751 -0.131024
C 0.649963 -1.531186 -1.109921
C 2.009254 -0.033820 0.583189
C -0.460811 -0.474042 0.902237
C 0.335696 0.965703 -1.041611
C 1.846899 -1.493132 -2.089636
C 0.633026 -2.872932 -0.339463
C 1.980780 1.049863 1.645915
C -2.134716 0.853635 -0.460033
C 2.589849 2.255425 1.521687
H -0.286393 -1.469374 -1.703931
H 2.747505 0.227535 -0.192351
H 2.304599 -0.994304 1.043385
H 2.795165 -1.713994 -1.568108
H 1.703489 -2.272698 -2.859883
H 1.951029 -0.520838 -2.598952
H 1.495934 -2.963313 0.343715
H 0.695435 -3.699800 -1.070079
H -0.283481 -3.017360 0.256011
H -1.237408 2.015364 -1.912713
H 1.434435 0.807396 2.568657
H 2.548579 3.001986 2.323112
H 3.140092 2.529722 0.613277
H -2.270465 -0.874519 2.204612


