%chk=000085459.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085459

0 1
 O   -1.394900       1.552500       1.747500    
 O    2.004100      0.5873000       1.748300    
 N   -1.622700      0.6949000     -0.4245000    
 N    1.788900     -0.2531000     -0.4317000    
 C  -2.3700001E-02   2.438000      9.0099998E-02
 C    1.320100       2.064600      8.6599998E-02
 C   -1.061600       1.526100      0.5532000    
 C    1.741000      0.7477000      0.5469000    
 C  -0.3965000       3.705800     -0.3565000    
 C    2.291300       2.958900     -0.3635000    
 C   -2.654800     -0.2642000     -0.2774000    
 C    2.134200      -1.618300     -0.2780000    
 C   0.5747000       4.600200     -0.8066000    
 C    1.918600       4.226800     -0.8100000    
 C   -3.227600     -0.4556000      0.9682000    
 C    2.479800      -2.091500      0.9762000    
 C   -3.067800     -0.9877000      -1.382900    
 C    2.117300      -2.448600      -1.385500    
 C   -4.244600      -1.399300       1.112800    
 C    2.818800      -3.436000       1.127600    
 C   -4.084800      -1.931300      -1.238500    
 C    2.456300      -3.793200      -1.234200    
 C   -4.673100      -2.137100      9.3999999E-03
 C    2.807100      -4.286800      2.2399999E-02
 H   -1.440600       4.008900     -0.3588000    
 H    3.342000       2.680000     -0.3710000    
 H   -1.250800      0.7835000      -1.368200    
 H    1.540900      2.2500001E-02  -1.380000    
 H   0.2846000       5.587300      -1.154400    
 H    2.674800       4.923200      -1.160400    
 H   -2.952300      7.3700003E-02   1.868000    
 H    2.512400      -1.498800       1.877900    
 H   -2.615800     -0.8353000      -2.359000    
 H    1.845000      -2.074100      -2.368300    
 H   -4.703600      -1.560800       2.083900    
 H    3.092000      -3.821900       2.105500    
 H   -4.418500      -2.506000      -2.097600    
 H    2.447000      -4.455800      -2.094600    
 H   -5.464900      -2.871900      0.1218000    
 H    3.070900      -5.333700      0.1402000    


%chk=000085459-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085459

0 1
O -2.405651 2.588553 1.028319
O 0.890302 0.048696 1.461526
N -1.725777 0.632986 -0.075442
N 1.930145 -0.285598 -0.625752
C -0.212043 2.579897 0.005730
C 1.051811 1.924318 -0.100169
C -1.528635 1.927645 0.390591
C 1.267078 0.488060 0.334988
C -0.287259 3.969841 -0.263903
C 2.192465 2.671202 -0.499064
C -2.832847 -0.234540 0.146966
C 2.359594 -1.644393 -0.539951
C 0.850146 4.702740 -0.659285
C 2.096856 4.049507 -0.784834
C -3.991834 0.150433 0.873534
C 2.150009 -2.450853 0.611003
C -2.747278 -1.543432 -0.402409
C 3.018762 -2.189846 -1.675345
C -5.042180 -0.778547 1.036627
C 2.605103 -3.787331 0.606129
C -3.805733 -2.456806 -0.231596
C 3.465734 -3.525987 -1.662587
C -4.963208 -2.079577 0.489465
C 3.261381 -4.334631 -0.519770
H -1.259878 4.457481 -0.145972
H 3.172580 2.180651 -0.530956
H -0.957656 0.213718 -0.603927
H 2.147943 0.191741 -1.505029
H 0.765717 5.775293 -0.863187
H 2.990649 4.610501 -1.077739
H -4.049561 1.154790 1.295569
H 1.641288 -2.028308 1.478954
H -1.846922 -1.847667 -0.952584
H 3.181740 -1.568500 -2.566006
H -5.932305 -0.476986 1.600216
H 2.441823 -4.404669 1.496374
H -3.724521 -3.463018 -0.657261
H 3.973268 -3.934199 -2.543339
H -5.786476 -2.789213 0.623908
H 3.608571 -5.373052 -0.508892


