%chk=000174242.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174242

0 1
 O    3.380000       1.253400      0.5100000    
 O    3.814900       1.117200      -1.812400    
 O    3.136800      -1.576500      -1.824600    
 O    5.079100      -2.513400      0.1178000    
 O    4.412200     -0.8482000       2.201600    
 O   -1.989200       2.212300      -1.105700    
 O  -0.4222000       2.806200      0.4115000    
 O   -6.144300       1.085100      0.5875000    
 O   -6.750400      -1.371700     -0.5616000    
 N   0.8020000      0.2778000      9.8399997E-02
 C    3.067400      0.5789000     -0.7172000    
 C    3.378900     -0.9243000     -0.5806000    
 C    4.835000      -1.136400     -0.1560000    
 C    5.150300     -0.3201000       1.096900    
 C    1.578800      0.8014000     -0.9924000    
 C    4.751700       1.138300      0.9025000    
 C  -0.6330000      0.4570000     -0.1251000    
 C   -1.453200     -0.2012000      0.9919000    
 C  -0.9917000       1.931900     -0.2333000    
 C   -2.871300     -0.5114000      0.5770000    
 C   -3.859700      0.4394000      0.7752000    
 C   -3.158500      -1.741000      6.2000002E-03
 C   -5.170100      0.1530000      0.3923000    
 C   -4.468800      -2.027300     -0.3766000    
 C   -5.474600      -1.080400     -0.1835000    
 H    2.736800      -1.411000      0.1631000    
 H    5.508500     -0.8542000     -0.9733000    
 H    6.210400     -0.4072000       1.355600    
 H    1.296300      0.3473000      -1.950000    
 H    1.420500       1.880300      -1.111200    
 H    4.854200       1.684700       1.845800    
 H    5.387400       1.630700      0.1584000    
 H    1.075900      0.7160000      0.9773000    
 H  -0.8796000     -1.9500000E-02  -1.083700    
 H    3.363500       1.916800      -2.130000    
 H    2.174500      -1.640500      -1.944900    
 H    4.507500      -2.775100      0.8599000    
 H  -0.9782000      -1.143100       1.300900    
 H   -1.461600      0.4270000       1.893300    
 H    3.479100     -0.5974000       2.095300    
 H   -3.621500       1.397400       1.229900    
 H   -2.381800      -2.483900     -0.1508000    
 H   -4.699400      -2.989700     -0.8254000    
 H   -2.185100       3.172700      -1.142400    
 H   -5.750100       1.875100      0.9955000    
 H   -7.313200     -0.6054000     -0.3549000    


%chk=000174242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174242

0 1
O 3.352719 1.259157 0.573538
O 4.020167 1.173697 -1.740794
O 3.107528 -1.518273 -1.920897
O 4.974196 -2.601998 0.020738
O 4.304287 -1.033293 2.258114
O -1.253244 2.341182 -1.783006
O -1.672691 2.691922 0.474485
O -6.331839 0.915477 1.076224
O -6.958158 -1.321560 -0.303547
N 0.752444 0.619421 0.007318
C 3.101505 0.640252 -0.763618
C 3.362417 -0.874009 -0.639380
C 4.800797 -1.151947 -0.152061
C 5.087712 -0.403265 1.168950
C 1.642896 0.994151 -1.100614
C 4.757980 1.088271 1.018771
C -0.695239 0.517518 -0.273843
C -1.412054 -0.246881 0.868180
C -1.289371 1.928647 -0.443510
C -2.878387 -0.534437 0.576409
C -3.891897 0.364938 1.001970
C -3.258165 -1.696049 -0.142901
C -5.238360 0.095922 0.704379
C -4.613619 -1.964329 -0.441092
C -5.612239 -1.067535 -0.018665
H 2.640493 -1.248639 0.119195
H 5.517480 -0.854656 -0.935741
H 6.140377 -0.546416 1.466540
H 1.361274 0.424092 -2.002563
H 1.606280 2.081796 -1.359332
H 4.813504 1.610016 1.987251
H 5.441176 1.561825 0.289365
H 0.965226 1.137617 0.869915
H -0.823339 -0.025358 -1.225951
H 3.723703 2.082927 -2.003753
H 3.505602 -2.426819 -1.863070
H 4.619442 -2.815031 0.927870
H -0.852681 -1.189338 1.007239
H -1.313331 0.344846 1.798399
H 3.387146 -0.651362 2.230036
H -3.612314 1.272737 1.551794
H -2.488597 -2.405833 -0.468449
H -4.912474 -2.860795 -0.992120
H -1.590647 3.276663 -1.853133
H -6.036803 1.719192 1.567011
H -7.506705 -0.583443 0.072546


