%chk=000122347.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122347

0 1
 O  -0.5650000       1.125900      -1.768200    
 O   -5.685200      -2.937300     -0.6092000    
 O    2.522600      -3.359200     -0.6010000    
 O    5.865900     -0.9170000       2.274200    
 O    3.754200     -0.3293000       2.862300    
 O    4.726500       2.862400      -1.847700    
 O    5.758100       1.001400      -2.635000    
 N   -3.176700      0.6920000     -0.9527000    
 N   -4.204700       2.359200      0.9577000    
 N   -3.648200      -1.942500      1.9800000E-02
 N   -2.045200       3.473400       1.080500    
 N  -0.2267000       2.854000     -0.2927000    
 N    2.696200      -1.406800      0.6379000    
 N  -5.0799999E-02   4.603200       1.269900    
 C   -4.474700      0.3129000     -0.4036000    
 C   -5.161300       1.545100      0.2203000    
 C   -4.282600     -0.8077000      0.6176000    
 C   -2.410300       1.699100     -0.4053000    
 C   -2.887400       2.521900      0.5556000    
 C   -2.192500      -2.064500      1.1600000E-02
 C  -0.9948000       1.863300     -0.8842000    
 C   -4.457100      -2.940400     -0.5612000    
 C  -0.7499000       3.606000      0.6407000    
 C   -1.504600      -1.494100       1.041000    
 C   -1.621300      -2.739600      -1.026000    
 C    4.139900      -1.372900      0.6958000    
 C   0.5220000      -2.290800     -5.7999999E-03
 C    4.763000     -0.6306000     -0.4926000    
 C  -0.1146000      -1.610000       1.032100    
 C  -0.2314000      -2.855500      -1.034700    
 C    1.971400      -2.410500     -1.5200000E-02
 C    4.402100      0.8553000     -0.6160000    
 C    4.531200     -0.8051000       2.044700    
 C    5.031700       1.538800      -1.810600    
 H   -5.103000     -5.6800000E-02  -1.223400    
 H   -5.583800       2.164700     -0.5803000    
 H   -5.989200       1.251100      0.8740000    
 H   -5.275100      -1.113500      0.9750000    
 H   -3.772800     -0.4509000       1.513600    
 H   -2.749700      0.1088000      -1.664200    
 H   -4.546900       3.004600       1.661400    
 H   -2.424800       4.075300       1.802400    
 H   -3.895600      -3.805400     -0.9400000    
 H   -1.949700     -0.9963000       1.891600    
 H   -2.169700      -3.148900      -1.866300    
 H    4.488300      -2.413400      0.6806000    
 H    5.855900     -0.7175000     -0.4350000    
 H    4.469400      -1.138300      -1.421000    
 H   0.4312000      -1.189200       1.871700    
 H   0.2469000      -3.376500      -1.860200    
 H    2.207400     -0.6098000       1.032500    
 H    3.315900      0.9645000     -0.7096000    
 H    4.733200       1.388100      0.2822000    
 H  -0.4770000       5.174100       1.991600    
 H   0.9157000       4.797700       1.031400    
 H    6.116100     -0.5638000       3.154500    
 H    5.147200       3.313200      -2.610700    


%chk=000122347-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122347

0 1
O 0.168483 0.451935 -1.516719
O -5.758974 -2.590222 -1.236087
O 2.660662 -3.040926 0.491994
O 5.542410 0.686988 2.014376
O 3.402345 1.397601 2.482600
O 3.798475 2.437170 -3.082215
O 4.770839 0.343993 -3.310655
N -2.640788 0.718107 -1.321929
N -3.629607 2.397753 0.756620
N -3.802605 -1.802552 -0.202901
N -1.371273 2.568121 1.617439
N 0.470062 1.432385 0.594810
N 2.334304 -0.775208 0.974253
N 0.769254 2.513043 2.653719
C -4.057077 0.626048 -0.985567
C -4.480177 2.022864 -0.399556
C -4.421774 -0.484718 0.063610
C -1.773236 1.309934 -0.401810
C -2.266918 2.073586 0.644171
C -2.416513 -2.031693 0.125131
C -0.329388 1.063235 -0.509019
C -4.577997 -2.778836 -0.828991
C -0.037350 2.157334 1.599058
C -1.867335 -1.504177 1.320768
C -1.570793 -2.743024 -0.767951
C 3.776309 -0.527498 0.931904
C 0.379865 -2.169794 0.602597
C 4.303325 -0.252626 -0.517431
C -0.478035 -1.551075 1.542507
C -0.188794 -2.830687 -0.513096
C 1.877118 -2.057223 0.699201
C 3.608417 0.940260 -1.203767
C 4.159619 0.599055 1.879112
C 4.131837 1.156761 -2.604912
H -4.628976 0.429378 -1.910245
H -4.372200 2.777421 -1.197376
H -5.533650 2.010845 -0.072213
H -5.516055 -0.634032 0.041693
H -4.130748 -0.150336 1.074035
H -2.207316 0.163551 -2.061422
H -4.058347 2.339297 1.684968
H -1.675483 3.332564 2.223081
H -4.059499 -3.756337 -0.910277
H -2.514151 -1.030575 2.065996
H -1.973450 -3.154441 -1.699613
H 4.285122 -1.449937 1.274389
H 5.395891 -0.096686 -0.472085
H 4.129283 -1.173070 -1.100236
H -0.054991 -1.089601 2.441274
H 0.473144 -3.338562 -1.221166
H 1.687487 0.048616 0.886572
H 2.512782 0.768899 -1.286736
H 3.724113 1.884443 -0.639363
H 0.388102 2.882429 3.521166
H 1.745688 2.180094 2.625185
H 5.775002 1.444881 2.616690
H 4.113260 2.517146 -4.023780


