%chk=000062282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062282

0 1
 O    5.611000       1.045900     -0.9093000    
 O    5.419400      -2.346300      0.5812000    
 O    5.825000       1.635800       2.426600    
 O    3.544500       2.884400      0.1169000    
 O    8.129500      -2.454200      -2.650300    
 O   -7.249300     -0.8636000       1.944400    
 O   -7.996400      -2.238000      0.2370000    
 N    6.410900     -0.3993000       1.407900    
 C    5.115900     -0.2421000     -0.5236000    
 C    4.901000      0.9746000      0.3314000    
 C    6.077300      -1.144900      0.2018000    
 C    5.752100      0.8142000       1.527300    
 C    7.305800      -1.483800     -0.6232000    
 C    3.584800       1.676500      0.3164000    
 C    6.937400      -2.152900      -1.938400    
 C    2.368100      0.8466000      0.5940000    
 C    2.499800     -0.3117000       1.538500    
 C    1.235600       1.262600     -4.3000001E-03
 C  -6.8899997E-02  0.6358000      9.8099999E-02
 C   -1.154400       1.115100     -0.5330000    
 C   -2.506700      0.5559000     -0.4903000    
 C   -2.729100     -0.6914000      0.3282000    
 C   -3.482900       1.171800      -1.190400    
 C   -4.878300      0.7743000      -1.273000    
 C   -5.457400      0.9199000      -2.656100    
 C   -5.630300      0.3107000     -0.2543000    
 C   -7.025700     -0.1112000     -0.2330000    
 C   -7.964000      0.5660000     -0.9242000    
 C   -7.480500      -1.209900      0.6496000    
 C   -9.431300      0.2820000      -1.019000    
 C   -7.662900      -1.822900       2.922900    
 H    4.328200     -0.7000000      -1.098100    
 H    7.038700     -0.7568000       2.121100    
 H    7.971200      -2.152200     -6.0699999E-02
 H    7.900300     -0.5846000     -0.8323000    
 H    5.984000      -2.783900       1.240800    
 H    6.394500      -3.088400      -1.770900    
 H    6.329100      -1.497300      -2.568500    
 H    1.553700     -0.5651000       2.024900    
 H    3.196000     -7.8699999E-02   2.350300    
 H    2.856200      -1.201400       1.012600    
 H    1.270300       2.135200     -0.6558000    
 H    7.865000      -2.881700      -3.482600    
 H  -0.1410000     -0.2506000      0.7170000    
 H   -1.038000       2.010700      -1.143400    
 H   -3.627600      -1.247600      5.2000001E-02
 H   -1.919700      -1.413500      0.1710000    
 H   -2.775100     -0.4498000       1.395100    
 H   -3.241400       2.059300      -1.775300    
 H   -4.685500      0.7451000      -3.416900    
 H   -6.238900      0.1880000      -2.879800    
 H   -5.842400       1.933200      -2.812200    
 H   -5.174000      0.2519000      0.7334000    
 H   -7.683300       1.449100      -1.492900    
 H   -9.689400      1.6200000E-02  -2.048700    
 H   -9.771500     -0.5222000     -0.3634000    
 H   -9.994100       1.181800     -0.7497000    
 H   -8.743100      -1.985300       2.860300    
 H   -7.121700      -2.763400       2.782400    
 H   -7.424000      -1.424300       3.912300    


%chk=000062282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062282

0 1
O 5.958789 0.999623 -1.025121
O 5.938351 -2.438980 0.436632
O 4.363320 1.383989 2.046669
O 3.332717 1.667457 -1.923545
O 9.988915 -1.861271 -0.781456
O -6.763712 -1.498317 1.465524
O -9.028284 -0.994348 1.477949
N 6.000286 -0.234902 1.500338
C 5.701643 -0.452661 -0.810460
C 4.701220 0.540605 -0.292628
C 6.468359 -1.059016 0.377873
C 4.949756 0.646363 1.219101
C 8.003703 -1.046808 0.267853
C 3.362594 0.862738 -0.941852
C 8.531609 -1.781546 -0.970139
C 2.158438 0.187440 -0.385747
C 2.305851 -0.893714 0.669658
C 0.934948 0.619847 -0.879119
C -0.370676 0.145735 -0.503109
C -1.529530 0.671842 -1.053896
C -2.898139 0.285283 -0.740403
C -3.136080 -0.868230 0.218630
C -3.913411 0.992791 -1.379109
C -5.374900 0.900099 -1.260872
C -6.131079 1.273584 -2.532292
C -5.990656 0.526592 -0.080919
C -7.439733 0.426646 0.206867
C -8.352681 1.361398 -0.238366
C -7.867111 -0.711156 1.087646
C -9.842425 1.426506 -0.034733
C -7.079650 -2.648555 2.343778
H 5.534222 -1.066545 -1.698892
H 6.475692 -0.207125 2.404219
H 8.444419 -1.526490 1.166228
H 8.350817 0.000774 0.245469
H 6.378212 -2.922845 1.182301
H 8.081892 -2.793178 -1.042836
H 8.281200 -1.211369 -1.888951
H 1.435474 -1.571057 0.674023
H 2.393325 -0.452853 1.681048
H 3.202285 -1.518569 0.503215
H 0.981559 1.417757 -1.635626
H 10.409815 -2.229158 -1.598108
H -0.445548 -0.641199 0.256916
H -1.412712 1.481340 -1.791665
H -4.125726 -1.327494 0.065088
H -2.368904 -1.650572 0.080789
H -3.081529 -0.538306 1.274720
H -3.575385 1.724050 -2.132509
H -5.592492 0.902854 -3.422653
H -7.148809 0.849051 -2.543178
H -6.224560 2.372307 -2.643559
H -5.347957 0.266439 0.764443
H -7.930512 2.201724 -0.807124
H -10.355574 1.389328 -1.017784
H -10.220466 0.611716 0.596090
H -10.117641 2.401762 0.413867
H -7.529830 -2.298640 3.288084
H -7.785255 -3.330992 1.840923
H -6.111947 -3.138139 2.522512


