%chk=000155770.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155770

0 1
 O    3.193600      0.2599000     -0.5580000    
 O    6.104700      -1.609300       1.656400    
 O    6.419600       1.179400      0.9000000    
 O    1.616500      -1.365900      1.0000000E-03
 O    3.260600      -2.198100       2.143200    
 O    5.564900       2.795000      -1.083600    
 O    4.080800       1.730400      -2.447500    
 O   0.4588000      0.5298000     -0.5832000    
 O   -2.678700      -1.670800      0.5797000    
 N  -0.4074000      -1.590100     -0.9542000    
 N   -3.600600      2.4000001E-03 -0.7837000    
 C    5.020500     -0.7054000       1.438400    
 C    5.444600      0.2901000      0.3581000    
 C    3.778200      -1.490500       1.016700    
 C    4.251200       1.106400     -0.1224000    
 C    2.685400     -0.5584000      0.4928000    
 C    4.595500       1.886000      -1.350100    
 C   0.5447000     -0.6922000     -0.5196000    
 C   -1.661700      -1.200600      -1.556000    
 C   -2.686600     -0.9911000     -0.4428000    
 C   -2.141700      -2.251400      -2.545100    
 C   -4.689800      0.4748000     -1.3300000E-02
 C   -4.498300       1.536200      0.8587000    
 C   -5.930600     -0.1311000     -0.1442000    
 C   -5.572200       2.002300       1.617200    
 C   -7.004400      0.3352000      0.6142000    
 C   -3.168100       2.200300       1.011900    
 C   -6.154200      -1.275100      -1.079500    
 C   -6.825200       1.401700       1.494900    
 H    4.842500     -0.1990000       2.395300    
 H    5.919400     -0.2434000     -0.4746000    
 H    4.037800      -2.239300      0.2580000    
 H    3.875600       1.807500      0.6332000    
 H    2.293000      6.7100003E-02   1.306500    
 H    6.878500      -1.079100       1.913700    
 H    6.011100       1.659800       1.640200    
 H    3.973100      -2.767500       2.480500    
 H   -1.498000     -0.2539000      -2.084700    
 H  -0.2325000      -2.577900     -0.7945000    
 H    5.806700       3.316600      -1.878500    
 H   -3.082600      -1.946200      -3.015200    
 H   -2.317000      -3.213100      -2.049500    
 H   -1.399700      -2.413300      -3.334100    
 H   -3.447500      0.5199000      -1.646300    
 H   -5.450400       2.831700       2.308800    
 H   -7.987300     -0.1213000      0.5322000    
 H   -2.439400       1.501800       1.436200    
 H   -2.803100       2.559800      4.3900002E-02
 H   -3.219600       3.067600       1.679000    
 H   -5.855800      -1.004600      -2.097900    
 H   -5.581800      -2.150400     -0.7554000    
 H   -7.208900      -1.568200      -1.120500    
 H   -7.661200       1.764500       2.085700    


%chk=000155770-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155770

0 1
O 3.217094 0.106771 -0.977938
O 4.357271 -0.128924 3.047513
O 5.774657 1.673572 1.329109
O 1.262306 -1.040270 -0.524029
O 1.623528 -0.572481 2.318679
O 6.349860 1.921293 -1.322110
O 5.024995 0.861748 -2.914804
O -0.293811 0.639071 -1.147427
O -3.879419 -2.339199 -1.294097
N -0.593267 -1.613667 -1.709305
N -3.122630 -0.194547 -0.687357
C 3.808838 0.436619 1.814675
C 4.901742 0.652045 0.756882
C 2.715919 -0.539563 1.351356
C 4.210900 1.102127 -0.570306
C 2.137871 -0.038492 0.021738
C 5.175149 1.242772 -1.747665
C 0.077905 -0.568886 -1.147965
C -1.875677 -1.417453 -2.426748
C -3.069303 -1.374982 -1.414861
C -2.074960 -2.527999 -3.465070
C -4.066704 0.102373 0.361688
C -3.549105 0.434241 1.650148
C -5.466686 0.108321 0.095424
C -4.463294 0.758933 2.679859
C -6.345723 0.425231 1.161796
C -2.055524 0.421791 1.924402
C -6.022216 -0.184992 -1.282705
C -5.855274 0.746711 2.444122
H 3.346087 1.427316 2.023954
H 5.449249 -0.296516 0.574356
H 3.159262 -1.546129 1.206329
H 3.742286 2.098287 -0.390780
H 1.593388 0.920665 0.143494
H 5.085056 0.469416 3.357011
H 6.434493 1.940178 0.633199
H 2.025651 -0.754666 3.207703
H -1.807707 -0.430907 -2.922567
H -0.217716 -2.557062 -1.594919
H 6.964608 2.039515 -2.095685
H -2.989027 -2.335419 -4.049948
H -2.212604 -3.504867 -2.970095
H -1.213981 -2.572296 -4.154440
H -2.316387 0.440956 -0.796605
H -4.076702 1.009648 3.674608
H -7.425361 0.430113 0.971280
H -1.601717 -0.559346 1.690811
H -1.507988 1.171101 1.320974
H -1.851078 0.640246 2.985643
H -5.442489 0.334117 -2.068883
H -5.961622 -1.266341 -1.503186
H -7.075167 0.135810 -1.358463
H -6.551975 0.993018 3.253202


