%chk=000174011.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174011

0 1
 O   0.5591000      -1.561800     -0.8928000    
 O   -2.372200      0.6999000       2.219400    
 O   -5.231300      0.2779000      0.5623000    
 O   -4.428400       2.345500      0.1096000    
 C    1.550500      -1.809100      0.1274000    
 C    2.845200      -1.149500     -0.3621000    
 C    1.221400      -1.293900       1.509000    
 C    1.737000      -3.330000      0.1870000    
 C    2.683600      0.3624000     -0.4627000    
 C  -0.5885000     -0.8987000     -0.5611000    
 C  -0.8691000     -0.4338000      0.7253000    
 C   8.9100003E-02 -0.6486000       1.795700    
 C   -1.504900     -0.6950000      -1.596300    
 C   -2.073900      0.2368000      0.9688000    
 C    3.952000       1.003200     -0.9508000    
 C   -2.703200     -2.6699999E-02  -1.348500    
 C   -2.987800      0.4385000     -6.6500001E-02
 C    4.952300       1.517900     -0.2110000    
 C   -3.662100      0.1736000      -2.476700    
 C   -4.241800       1.137300      0.1958000    
 C    4.873700       1.506600       1.292400    
 C    6.199600       2.147500     -0.7638000    
 H    3.678600      -1.396600      0.3093000    
 H    3.107000      -1.542500      -1.354400    
 H    1.945500      -1.459600       2.303100    
 H    1.988800      -3.732000     -0.8015000    
 H    2.527200      -3.620400      0.8882000    
 H   0.8073000      -3.825200      0.4924000    
 H    2.368700      0.8164000      0.4808000    
 H    1.898300      0.6177000      -1.184900    
 H  -0.1093000     -0.2941000       2.799600    
 H   -1.274300      -1.062000      -2.593800    
 H    4.061400       1.029200      -2.034200    
 H   -3.850700       1.240300      -2.636500    
 H   -3.274200     -0.2304000      -3.418300    
 H   -4.609400     -0.3355000      -2.270400    
 H   -3.236800       1.139800       2.235000    
 H    4.702900       2.521600       1.665800    
 H    4.096000      0.8576000       1.700800    
 H    5.820300       1.145900       1.710900    
 H    7.085400       1.596500     -0.4322000    
 H    6.197900       2.150700      -1.858800    
 H    6.284800       3.185300     -0.4262000    
 H   -6.075000      0.7466000      0.7381000    


%chk=000174011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174011

0 1
O 0.572853 -0.956249 -0.874617
O -2.792535 0.092867 2.420104
O -5.721521 0.675004 -0.552624
O -5.119757 0.653266 1.661213
C 1.508675 -1.539020 0.181386
C 2.918131 -1.105490 -0.281142
C 1.153486 -1.020693 1.566733
C 1.335231 -3.073115 0.108283
C 3.139418 0.429002 -0.287910
C -0.729077 -0.629700 -0.525672
C -1.110814 -0.449283 0.828197
C -0.093120 -0.564438 1.871865
C -1.643083 -0.424474 -1.588374
C -2.452999 -0.079228 1.097310
C 4.498579 0.801138 -0.843376
C -2.977426 -0.059787 -1.342362
C -3.411860 0.114922 0.024697
C 5.504183 1.491027 -0.230320
C -3.891983 0.123608 -2.540000
C -4.760050 0.486709 0.435097
C 5.440362 2.040941 1.184304
C 6.809107 1.775990 -0.959156
H 3.661354 -1.588495 0.383432
H 3.085552 -1.508287 -1.298876
H 1.940776 -1.085961 2.326808
H 1.565144 -3.437265 -0.908960
H 2.016304 -3.568401 0.824171
H 0.300985 -3.359131 0.366898
H 2.993315 0.829092 0.731792
H 2.344091 0.878345 -0.916020
H -0.363396 -0.252156 2.884286
H -1.287522 -0.565531 -2.612711
H 4.677613 0.460929 -1.876859
H -4.320145 1.140256 -2.572890
H -3.332795 -0.055593 -3.473171
H -4.753158 -0.565873 -2.505251
H -3.788948 0.359819 2.457888
H 5.524982 3.146170 1.176437
H 4.507843 1.779251 1.709830
H 6.290715 1.664497 1.787257
H 7.671899 1.337659 -0.418312
H 6.803729 1.368063 -1.984941
H 6.998850 2.866247 -1.024088
H -6.572289 0.922666 -0.097152


