%chk=000022032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022032

0 1
 O    5.034600      -1.331700      0.2841000    
 O    2.397100       2.620500     -0.3178000    
 O    4.871100       1.420200      1.3100000E-02
 O   0.2645000      -2.895400     -0.4646000    
 N  -0.9723000      -1.089100      0.2996000    
 N   -5.063400      0.7091000      0.8574000    
 N   -3.592800     -0.3194000       2.408700    
 C   -2.247600      -1.767500      0.3476000    
 C   -3.392400     -0.8303000      6.8499997E-02
 C    1.423800     -0.8942000     -7.8500003E-02
 C   0.2168000      -1.704600     -0.1086000    
 C    1.337600      0.4913000     -0.2143000    
 C    2.667900      -1.502600      8.8399999E-02
 C    3.825800     -0.7254000      0.1194000    
 C    2.495600       1.268500     -0.1835000    
 C    3.739600      0.6601000     -1.6600000E-02
 C   -4.032400     -0.1383000       1.073500    
 C   -3.816200     -0.6586000      -1.237100    
 C   -5.458400      0.8591000     -0.4268000    
 C   -4.873900      0.2051000      -1.499300    
 C   -6.597300       1.791800     -0.6701000    
 C    5.722700      -1.736800     -0.8976000    
 C    1.088100       3.161700     -0.4842000    
 C    4.961300       2.406500       1.038800    
 H   -2.336800      -2.256900       1.323500    
 H   -2.248200      -2.583400     -0.3861000    
 H  -0.9428000     -0.1556000      0.6965000    
 H   0.3627000      0.9303000     -0.3848000    
 H    2.748800      -2.581200      0.2013000    
 H   -3.337700      -1.183400      -2.058900    
 H   -5.222000      0.3543000      -2.515800    
 H   -6.287000       2.607600      -1.330700    
 H   -7.435100       1.257800      -1.129800    
 H   -6.951900       2.233100      0.2673000    
 H   -4.102000      0.1951000       3.117700    
 H   -2.604800     -0.4694000       2.572600    
 H    5.935800     -0.8730000      -1.535200    
 H    5.133500      -2.475700      -1.450000    
 H    6.670300      -2.195400     -0.6021000    
 H   0.4565000       2.971900      0.3904000    
 H   0.6262000       2.822800      -1.417900    
 H    1.198300       4.248400     -0.5634000    
 H    6.012000       2.493100       1.330800    
 H    4.381500       2.133800       1.927600    
 H    4.636200       3.377400      0.6548000    


%chk=000022032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022032

0 1
O 3.929020 -0.936265 2.099584
O 3.489451 2.185986 -1.622172
O 4.969612 1.208552 0.536183
O -0.430296 -2.303199 -0.131542
N -1.118154 -0.371604 -1.223934
N -4.911444 -0.638587 1.343229
N -3.033992 -2.000609 1.092411
C -2.447417 -0.910892 -1.609758
C -3.602284 -0.449081 -0.737481
C 1.168240 -0.480868 -0.324084
C -0.170083 -1.120697 -0.550223
C 1.649082 0.586085 -1.129616
C 1.970742 -0.992703 0.716218
C 3.231840 -0.423905 0.995415
C 2.913463 1.153325 -0.862038
C 3.707020 0.680337 0.230123
C -3.845912 -1.020910 0.563772
C -4.507263 0.532145 -1.185067
C -5.768103 0.320213 0.882450
C -5.599672 0.938476 -0.381671
C -6.915972 0.679891 1.803168
C 5.320401 -1.390982 1.875783
C 2.745423 2.667618 -2.788912
C 5.036116 2.657395 0.838804
H -2.347128 -2.011344 -1.588347
H -2.639994 -0.609118 -2.656569
H -0.960771 0.629510 -1.350321
H 1.074527 0.925665 -1.996359
H 1.612724 -1.831603 1.318274
H -4.365285 0.976087 -2.179501
H -6.306746 1.698104 -0.725787
H -7.565180 1.453682 1.360028
H -7.525974 -0.215156 2.021632
H -6.530807 1.048722 2.770962
H -3.287751 -2.350015 2.014952
H -2.147077 -2.292724 0.654771
H 5.950915 -0.564323 1.510857
H 5.331424 -2.229980 1.153751
H 5.664227 -1.741325 2.860632
H 1.773052 3.109067 -2.494739
H 2.582022 1.854206 -3.521668
H 3.384497 3.443749 -3.234531
H 6.086335 2.840851 1.111300
H 4.375902 2.896239 1.693337
H 4.754569 3.251585 -0.045421


