%chk=000022308.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022308

0 1
 O    1.228100      0.4888000       1.758500    
 O   0.7436000     -9.1200002E-02   3.941400    
 N   -3.561400      -1.907900     -0.3010000    
 C  -3.5300002E-02 -0.1023000     -0.3199000    
 C   -1.271800      -1.014000     -0.7189000    
 C   0.2658000     -0.4246000       1.219100    
 C   -2.565300     -0.9259000      0.1326000    
 C  -0.4932000       1.378800     -0.5059000    
 C    1.265300     -0.4298000      -1.114400    
 C   0.7223000      -1.866200       1.537900    
 C   -3.185400      0.4698000      1.4400000E-02
 C  -0.7811000       1.792500      -1.770400    
 C    2.384200      0.2874000     -0.8145000    
 C  -0.5739000       2.155500      0.6092000    
 C    1.198000      -1.412000      -2.056300    
 C    2.003100      -2.237300      0.7958000    
 C   -4.754700      -1.827500      0.5395000    
 C   -2.997500      -3.256000     -0.2630000    
 C   -1.190400       3.115500      -1.936700    
 C    3.548100     -5.5000000E-03  -1.525200    
 C  -0.9833000       3.478600      0.4429000    
 C    2.362000      -1.705000      -2.767000    
 C    1.507200      0.3293000       3.082900    
 C   -1.291500       3.958600     -0.8302000    
 C    3.537000      -1.001700      -2.501300    
 C    2.920000      0.7519000       3.350600    
 H   -1.542400     -0.8533000      -1.772200    
 H  -0.9089000      -2.042500     -0.6557000    
 H  -0.6477000     -0.2620000       1.800600    
 H   -2.340000      -1.121600       1.185600    
 H  -6.1299998E-02  -2.584200       1.274500    
 H   0.8948000      -2.023500       2.606100    
 H   -2.714200       1.167400      0.6981000    
 H   -3.197100      0.8401000      -1.014000    
 H   -4.220900      0.5359000      0.3551000    
 H  -0.7009000       1.149300      -2.639400    
 H    2.416800       1.105900     -0.1076000    
 H  -0.4419000       1.863300       1.637400    
 H   0.3159000      -1.977800      -2.321200    
 H    1.834500      -2.701200     -0.1702000    
 H    2.443700      -3.073100       1.361200    
 H    2.787900      -1.484500      0.8333000    
 H   -5.384600      -2.715600      0.3993000    
 H   -4.523000      -1.767400       1.609200    
 H   -5.412500      -1.001500      0.2553000    
 H   -3.783400      -4.007000     -0.4125000    
 H   -2.302200      -3.433000      -1.089500    
 H   -2.506300      -3.483500      0.6901000    
 H   -1.430400       3.489300      -2.927800    
 H    4.459800      0.5509000      -1.328000    
 H   -1.081300       4.131200       1.305700    
 H    2.353300      -2.477400      -3.530600    
 H   -1.614600       4.987400     -0.9590000    
 H    4.442200      -1.227200      -3.057200    
 H    3.133800      0.6468000       4.418100    
 H    3.610100      0.1148000       2.792000    
 H    3.052300       1.800300       3.071400    


%chk=000022308-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022308

0 1
O 1.447128 -0.004787 1.648508
O 0.464021 -0.203293 3.757331
N -3.425584 -1.957724 0.123538
C -0.007879 -0.269769 -0.349252
C -1.326926 -0.990572 -0.842426
C 0.383579 -0.877198 1.049352
C -2.667320 -0.677649 -0.093971
C -0.317922 1.249462 -0.246667
C 1.154844 -0.516656 -1.348282
C 0.890737 -2.349744 1.058445
C -3.497578 0.341646 -0.904893
C -0.270056 2.047217 -1.421179
C 2.341369 0.261665 -1.246697
C -0.760142 1.868916 0.951659
C 1.110956 -1.527273 -2.341744
C 2.421758 -2.557290 1.010184
C -4.869517 -1.789996 0.404120
C -2.806811 -2.792317 1.178163
C -0.641695 3.408905 -1.403109
C 3.440543 0.034540 -2.099764
C -1.129268 3.232737 0.976223
C 2.211570 -1.758896 -3.200559
C 1.376280 0.240839 3.020129
C -1.073530 4.013046 -0.200112
C 3.383527 -0.981221 -3.083855
C 2.524450 1.124573 3.455564
H -1.468844 -0.718193 -1.905124
H -1.178929 -2.084340 -0.830572
H -0.492061 -0.809007 1.721078
H -2.446706 -0.209594 0.900083
H 0.439303 -2.882606 0.201055
H 0.501540 -2.833860 1.974521
H -2.873828 1.216774 -1.148808
H -3.839462 -0.112477 -1.854236
H -4.377811 0.704559 -0.347176
H 0.066524 1.597239 -2.361637
H 2.397763 1.043495 -0.483663
H -0.825811 1.300145 1.884601
H 0.216777 -2.145192 -2.464122
H 2.871739 -2.115315 0.107142
H 2.643988 -3.640503 1.013645
H 2.916783 -2.109558 1.889285
H -5.319430 -2.790724 0.535493
H -5.082571 -1.196580 1.329916
H -5.379972 -1.304841 -0.442158
H -3.353385 -3.748592 1.261034
H -1.760302 -3.028611 0.928763
H -2.813919 -2.300491 2.185202
H -0.593606 3.995851 -2.327479
H 4.342368 0.649069 -1.997149
H -1.464870 3.682271 1.917949
H 2.148498 -2.546551 -3.960282
H -1.361523 5.070103 -0.180339
H 4.236306 -1.158929 -3.748766
H 2.532666 1.211932 4.551553
H 3.484099 0.713230 3.099585
H 2.409541 2.128234 3.008102


