%chk=000125794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125794

0 1
 O   0.2772000      -1.251700      0.5418000    
 O  -0.5799000      -2.333200      -1.390200    
 O   0.5207000      8.7000001E-03  -2.765600    
 O   -2.674200       3.050500      0.3170000    
 O   -5.010400     -0.9078000      0.6451000    
 N   -3.823000       1.057100      0.4451000    
 C   -1.653600     -0.3077000     -0.5763000    
 C  -0.3544000      -1.089000     -0.7507000    
 C   -1.393900       1.038600      9.2100002E-02
 C   -2.652400      -1.093200      0.2678000    
 C   0.6291000     -0.3142000      -1.599200    
 C    1.767600     -3.7400000E-02 -0.7646000    
 C    1.488900     -0.6146000      0.4580000    
 C   -2.673600       1.820600      0.2731000    
 C   -3.942000     -0.3284000      0.4509000    
 C    2.397100     -0.5316000       1.494800    
 C    2.939000      0.6415000      -1.029300    
 C    3.865100      0.7328000      1.0400000E-02
 C    3.596500      0.1510000       1.263700    
 C    2.122400      -1.145100       2.822900    
 C    5.153900       1.453200     -0.2069000    
 H   -2.107900     -0.1363000      -1.563100    
 H  -0.7266000       1.658900     -0.5159000    
 H  -0.9502000      0.9276000       1.088200    
 H   -2.255600      -1.312900       1.265900    
 H   -2.896400      -2.045300     -0.2169000    
 H   -4.685000       1.577300      0.5845000    
 H   0.2815000      -2.696100      -1.657300    
 H    3.127800       1.080400      -2.002400    
 H    4.334800      0.2334000       2.058800    
 H    1.205400     -0.7282000       3.252300    
 H    2.009900      -2.229800       2.724300    
 H    2.934000     -0.9587000       3.534300    
 H    5.074100       2.177300      -1.024800    
 H    5.444500       2.012000      0.6891000    
 H    5.946500      0.7390000     -0.4512000    


%chk=000125794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125794

0 1
O 0.287246 -1.159449 0.562836
O -0.667492 -2.285535 -1.339415
O 0.459083 0.157621 -2.843334
O -3.006654 3.075744 0.354414
O -5.101970 -1.036029 0.733813
N -3.992692 0.983053 0.491060
C -1.728490 -0.273382 -0.609008
C -0.383583 -0.994679 -0.795517
C -1.550447 1.126900 0.017488
C -2.695809 -1.127443 0.241735
C 0.667408 -0.187379 -1.649992
C 1.830561 0.024958 -0.788086
C 1.556586 -0.556906 0.474102
C -2.877623 1.825666 0.288337
C -4.023580 -0.431989 0.499580
C 2.482314 -0.533840 1.541111
C 3.069071 0.664186 -1.036738
C 4.025806 0.715389 -0.002586
C 3.708455 0.113845 1.258318
C 2.164498 -1.164233 2.878909
C 5.369956 1.393660 -0.199516
H -2.138454 -0.159731 -1.632286
H -0.963858 1.803131 -0.626724
H -1.011567 1.042521 0.982262
H -2.229258 -1.351948 1.221612
H -2.907923 -2.094117 -0.239592
H -4.886484 1.455322 0.678289
H 0.157974 -2.716233 -1.677996
H 3.264833 1.109284 -2.018061
H 4.461567 0.155634 2.056348
H 1.288213 -0.681547 3.350107
H 1.910320 -2.233924 2.765541
H 3.017642 -1.080906 3.572335
H 5.482450 1.773277 -1.228838
H 5.492469 2.250769 0.489017
H 6.206333 0.697011 -0.003826


