%chk=000059630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059630

2 1
 O   0.6909000       1.302100      -1.704400    
 N   -3.717300      0.3191000      0.6471000    
 N  -0.9175000      0.6273000     -0.1622000    
 N    3.911500     -0.1410000      0.4580000    
 C   -2.650900     -0.6773000       1.138000    
 C   -3.360900      0.7058000     -0.8005000    
 C   -2.678600      -1.956600      0.2789000    
 C   -3.404700     -0.5351000      -1.713300    
 C   -1.258900     -2.0300001E-02   1.112400    
 C   -1.978400       1.377900     -0.8397000    
 C   -2.558300      -1.708000      -1.223100    
 C   -3.784100       1.562000       1.559800    
 C   -5.135500     -0.2806000      0.7379000    
 C   0.3933000      0.7606000     -0.6365000    
 C    1.487500      0.1884000      0.2302000    
 C    2.839900      0.4077000     -0.4105000    
 C    3.676500      -1.631900      0.7366000    
 C    5.284900      9.2000002E-03 -0.2105000    
 C    3.952700      0.5956000       1.803800    
 C    3.631600      -2.383000     -0.5760000    
 C    5.576300       1.478200     -0.4259000    
 H   -2.908800     -0.9362000       2.172600    
 H   -4.120900       1.422900      -1.135300    
 H   -3.599300      -2.516900      0.4774000    
 H   -1.868200      -2.626800      0.5927000    
 H   -3.076300     -0.2591000      -2.723500    
 H   -4.441700     -0.8680000      -1.836000    
 H   -1.173300      0.7475000       1.889300    
 H  -0.5163000     -0.7794000       1.370600    
 H   -1.692600       1.556900      -1.883100    
 H   -2.010900       2.370100     -0.3756000    
 H   -1.507600      -1.533200      -1.481100    
 H   -2.842600      -2.616400      -1.767700    
 H   -2.824700       2.077800       1.581900    
 H   -4.553000       2.233300       1.164900    
 H   -4.044600       1.229300       2.569300    
 H   -5.846600      0.4717000      0.3832000    
 H   -5.216600      -1.177200      0.1243000    
 H   -5.331900     -0.5334000       1.784400    
 H    1.265800     -0.8780000      0.3118000    
 H    1.409600      0.6624000       1.212700    
 H    2.992900       1.488400     -0.5081000    
 H    2.917000     -1.3800000E-02  -1.418400    
 H    4.519400      -1.982700       1.345000    
 H    2.771400      -1.765200       1.335400    
 H    6.036700     -0.4600000      0.4335000    
 H    5.269100     -0.4840000      -1.185100    
 H    3.822600       1.669000       1.641600    
 H    3.145800      0.2205000       2.440400    
 H    4.909800      0.3824000       2.290200    
 H    4.572500      -2.371500      -1.129700    
 H    2.816200      -2.081500      -1.237100    
 H    3.446300      -3.441100     -0.3513000    
 H    5.603500       2.064700      0.4953000    
 H    4.899800       1.956100      -1.138900    
 H    6.577300       1.569000     -0.8655000    


%chk=000059630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059630

2 1
O 0.615583 1.158664 -1.591758
N -3.872214 0.400885 0.583763
N -0.990229 0.668585 0.006879
N 4.032555 -0.208804 0.441863
C -2.821733 -0.571142 1.219113
C -3.362322 0.710113 -0.871627
C -2.782533 -1.903830 0.428912
C -3.350717 -0.586672 -1.715205
C -1.439154 0.138003 1.308241
C -1.992298 1.418236 -0.791780
C -2.511935 -1.729896 -1.088459
C -4.023992 1.683251 1.407130
C -5.267675 -0.232462 0.560364
C 0.323026 0.653170 -0.466498
C 1.425561 0.011728 0.410054
C 2.775992 0.323462 -0.272845
C 4.014356 -1.759408 0.585047
C 5.286565 0.197003 -0.401568
C 4.154322 0.379319 1.845759
C 3.933216 -2.549904 -0.724932
C 5.590029 1.697848 -0.459613
H -3.173682 -0.755913 2.251665
H -4.091965 1.426153 -1.294057
H -3.720840 -2.461265 0.596131
H -1.994409 -2.530634 0.886131
H -2.941359 -0.322222 -2.706683
H -4.385915 -0.919726 -1.907789
H -1.465754 0.937890 2.075292
H -0.728250 -0.621484 1.672401
H -1.587610 1.520585 -1.813190
H -2.095340 2.449008 -0.400831
H -1.440473 -1.537908 -1.262739
H -2.747177 -2.675709 -1.606479
H -3.075789 2.225322 1.488973
H -4.766934 2.329018 0.913890
H -4.380956 1.414441 2.413536
H -5.963226 0.478094 0.087202
H -5.269285 -1.170770 -0.002217
H -5.582926 -0.424980 1.597865
H 1.249457 -1.079173 0.482943
H 1.384241 0.425886 1.434322
H 2.900191 1.413661 -0.358075
H 2.784296 -0.080053 -1.296218
H 4.937316 -2.012317 1.136077
H 3.160528 -1.996230 1.242838
H 6.130575 -0.355293 0.047959
H 5.110593 -0.200310 -1.413902
H 4.001026 1.467085 1.808724
H 3.404362 -0.084131 2.503921
H 5.159855 0.161557 2.237175
H 4.814712 -2.409756 -1.370423
H 3.023722 -2.334177 -1.311362
H 3.901962 -3.622721 -0.464406
H 5.826909 2.133476 0.524377
H 4.793612 2.289520 -0.940725
H 6.491929 1.822627 -1.084969


