%chk=000061727.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061727

0 1
 O   5.0000002E-04 -5.0000002E-04  7.3700003E-02
 O    1.300800     -0.1781000       1.992900    
 O   -1.300500      0.1495000       1.994900    
 C    3.010300      0.9247000     -0.6599000    
 C   -3.009300     -0.9147000     -0.6740000    
 C    2.311800     -0.2913000     -0.1257000    
 C   -2.320900      0.2947000     -0.1299000    
 C    3.659600      8.7099999E-02  0.3883000    
 C   -3.674300     -8.0399998E-02  0.3812000    
 C    2.432600       2.257100     -0.3154000    
 C    3.608500      0.8788000      -2.025800    
 C   -2.432600      -2.243900     -0.3156000    
 C   -3.591400     -0.8761000      -2.047100    
 C    1.156600     -0.1512000      0.7794000    
 C   -1.155800      0.1401000      0.7812000    
 C    4.801500     -0.7763000      3.1700000E-02
 C   -4.800400      0.7765000      4.1700002E-02
 C    6.105600     -0.4423000     -9.8999999E-03
 C   -6.104400      0.4432000     -5.1000002E-03
 C    7.154200      -1.448000     -0.3961000    
 C    6.627800      0.9282000      0.3160000    
 C   -7.152900       1.454600     -0.3771000    
 C   -6.627200     -0.9319000      0.3007000    
 H    2.240800      -1.146700     -0.7923000    
 H   -2.242900       1.154600     -0.7897000    
 H    3.729300      0.5019000       1.389000    
 H   -3.738900     -0.5032000       1.379500    
 H    2.164800       2.344500      0.7430000    
 H    3.156600       3.052700     -0.5240000    
 H    1.534400       2.455300     -0.9102000    
 H    2.911900       1.303900      -2.757800    
 H    4.530400       1.468900      -2.068200    
 H    3.833500     -0.1364000      -2.370600    
 H   -2.185200      -2.331400      0.7479000    
 H   -3.149300      -3.042600     -0.5374000    
 H   -1.522900      -2.440100     -0.8935000    
 H   -2.879800      -1.287600      -2.772200    
 H   -4.504100      -1.479400      -2.100200    
 H   -3.830300      0.1370000      -2.388400    
 H    4.542300      -1.805900     -0.2118000    
 H   -4.545900       1.810400     -0.1879000    
 H    6.726000      -2.429500     -0.6250000    
 H    7.871400      -1.580400      0.4205000    
 H    7.696800      -1.107200      -1.284000    
 H    7.329700      0.8751000       1.154600    
 H    7.152700       1.347000     -0.5490000    
 H    5.836600       1.631200      0.5924000    
 H   -7.695300       1.126600      -1.269900    
 H   -7.870300       1.575100      0.4411000    
 H   -6.724800       2.439300     -0.5917000    
 H   -5.836500      -1.639300      0.5670000    
 H   -7.152100      -1.337600     -0.5704000    
 H   -7.329200     -0.8906000       1.139900    


%chk=000061727-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061727

0 1
O 0.001090 0.001558 -0.004448
O 1.463470 -0.222024 1.838557
O -1.462211 0.250606 1.834560
C 3.100353 2.110195 0.365365
C -3.100048 -2.099392 0.391111
C 2.170902 0.971201 -0.180186
C -2.169167 -0.968808 -0.168698
C 3.716829 0.750684 0.011216
C -3.715147 -0.744216 0.018459
C 3.024345 2.498492 1.840384
C 3.293710 3.300875 -0.573568
C -3.025495 -2.468382 1.871180
C -3.293428 -3.302394 -0.532084
C 1.245698 0.228807 0.697753
C -1.244004 -0.215432 0.699964
C 4.581274 0.512549 -1.172399
C -4.578339 -0.520887 -1.168959
C 5.557998 -0.436826 -1.292733
C -5.554517 0.427310 -1.302455
C 6.372391 -0.549413 -2.571070
C 5.928319 -1.441304 -0.216280
C -6.367258 0.524175 -2.583087
C -5.925595 1.445319 -0.239046
H 1.810361 1.107385 -1.202974
H -1.807849 -1.118926 -1.189253
H 3.925797 0.131518 0.891510
H -3.924101 -0.113295 0.890353
H 2.843035 1.626243 2.489479
H 3.974731 2.973626 2.148799
H 2.208308 3.225186 2.013037
H 2.509236 4.058823 -0.393818
H 4.275990 3.776069 -0.390083
H 3.249017 3.018885 -1.639710
H -2.845330 -1.587701 2.509130
H -3.975970 -2.940014 2.184646
H -2.209278 -3.192373 2.054142
H -2.509583 -4.058292 -0.341347
H -4.276159 -3.774530 -0.343223
H -3.247506 -3.034667 -1.601857
H 4.411735 1.173692 -2.034830
H -4.408169 -1.193050 -2.022658
H 6.066653 0.198890 -3.322885
H 6.264260 -1.555625 -3.023508
H 7.453235 -0.410324 -2.367919
H 5.818697 -2.475215 -0.599601
H 6.991217 -1.325236 0.075405
H 5.315931 -1.355786 0.695180
H -7.448537 0.389162 -2.379541
H -6.257200 1.524253 -3.048491
H -6.061580 -0.234268 -3.324703
H -5.312409 1.372470 0.672959
H -6.988121 1.331516 0.054916
H -5.817782 2.474291 -0.635893


