%chk=000031411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031411

0 1
 O  -0.4301000      0.9685000      -1.026600    
 O    2.397800      -2.197800     -0.3700000    
 O    5.027500      -1.418900      -1.094100    
 O    5.925600      0.7760000     -0.6704000    
 O   -4.721100       1.180100     -0.8999000    
 O   -2.147800       2.419600      -1.558000    
 O   -5.785000      -1.159800      0.1646000    
 N  -4.6300001E-02  0.6602000       1.762700    
 C   0.5822000     -0.2760000      0.8051000    
 C  -0.2825000     -0.3627000     -0.4629000    
 C    2.021900      5.6000002E-02  0.4430000    
 C   0.2360000       2.060300       1.424800    
 C    2.552400       1.348900      0.6853000    
 C    1.728300       2.395900       1.389100    
 C   -1.686000     -0.7580000     -0.2120000    
 C    2.826000     -0.9257000     -0.1634000    
 C   0.3029000      0.3460000       3.148500    
 C   -2.533300      0.2566000     -0.6111000    
 C    3.878400       1.647700      0.3315000    
 C    4.120700     -0.5933000     -0.5039000    
 C    4.632300      0.6584000     -0.2637000    
 C   -1.738800       1.360500      -1.125800    
 C   -2.199900      -1.929000      0.3169000    
 C   -3.909100      0.1684000     -0.5034000    
 C   -3.587700      -2.049900      0.4391000    
 C   -4.436800      -1.007200      3.1599998E-02
 C    6.169400     -0.5442000      -1.197200    
 C    3.141000      -3.244000      0.2549000    
 C   -5.671400      0.8916000      -1.927100    
 C   -6.366900     -0.7280000       1.392500    
 H   0.5818000      -1.273800       1.267100    
 H   0.1563000     -0.9991000      -1.239100    
 H  -0.2316000       2.699800       2.187300    
 H  -0.2333000       2.423300      0.5164000    
 H    2.110200       2.500600       2.412400    
 H    1.859500       3.364600      0.8915000    
 H  -4.8500001E-02 -0.6591000       3.408500    
 H  -0.1981000       1.033600       3.838900    
 H    1.379800      0.3874000       3.342000    
 H    4.302000       2.627700      0.5253000    
 H   -1.548200      -2.737800      0.6295000    
 H   -4.008200      -2.963200      0.8527000    
 H    6.449000     -0.4548000      -2.253200    
 H    7.005400     -0.9924000     -0.6482000    
 H    3.597500      -2.919000       1.196400    
 H    3.903700      -3.625200     -0.4298000    
 H    2.447800      -4.060700      0.4771000    
 H   -6.635700      0.6308000      -1.482500    
 H   -5.328100      9.1499999E-02  -2.592000    
 H   -5.806700       1.798400      -2.523900    
 H   -6.192900      0.3416000       1.547200    
 H   -5.959400      -1.300200       2.231900    
 H   -7.445000     -0.9025000       1.340700    


%chk=000031411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031411

0 1
O -0.611673 0.941866 -1.106799
O 2.049441 -2.100083 -0.148213
O 5.091232 -1.632007 -0.821667
O 6.117207 0.483383 -0.411276
O -5.155914 0.472084 -0.746998
O -2.449083 2.281840 -1.550369
O -5.709551 -1.864511 0.697834
N -0.056485 1.038887 1.723418
C 0.553700 -0.027179 0.903667
C -0.318307 -0.317513 -0.372415
C 2.038279 0.197582 0.563413
C 0.399548 2.402002 1.346394
C 2.686374 1.434030 0.823793
C 1.929433 2.574511 1.494508
C -1.686122 -0.873198 -0.043627
C 2.772644 -0.903940 0.009064
C -0.033050 0.769625 3.176112
C -2.688900 0.018881 -0.501696
C 4.063691 1.616430 0.506643
C 4.123944 -0.703006 -0.310974
C 4.738879 0.541798 -0.062267
C -2.012350 1.200194 -1.105270
C -2.004662 -2.052353 0.643495
C -4.067446 -0.272619 -0.296606
C -3.367617 -2.317689 0.906141
C -4.389276 -1.447268 0.461243
C 6.253839 -0.776863 -1.174797
C 2.762339 -3.311269 -0.598444
C -5.123146 1.070476 -2.103607
C -6.619468 -0.905716 1.363360
H 0.495681 -0.972985 1.478084
H 0.250687 -0.969949 -1.055275
H -0.138046 3.132616 1.977481
H 0.112268 2.581727 0.298250
H 2.205821 2.608571 2.568831
H 2.242062 3.542582 1.059112
H -0.557587 -0.180222 3.384054
H -0.578138 1.576251 3.698636
H 0.989401 0.701662 3.620178
H 4.567950 2.566164 0.702599
H -1.226251 -2.743989 0.980831
H -3.680724 -3.217678 1.444738
H 6.218935 -0.549938 -2.259107
H 7.177507 -1.288050 -0.867437
H 3.578712 -3.568061 0.098198
H 3.175773 -3.172925 -1.611429
H 1.996365 -4.101272 -0.600812
H -4.776366 0.319052 -2.837165
H -4.465907 1.953191 -2.121937
H -6.169889 1.341641 -2.308130
H -6.730957 0.011751 0.763958
H -6.238490 -0.658961 2.373357
H -7.579310 -1.437849 1.445225


