%chk=000004823.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004823

0 1
 O    7.738900     -0.9143000     -2.3100000E-02
 O   -7.562400     -0.6251000      0.1679000    
 N    4.744800      0.9076000      0.5111000    
 N   -1.142100     -0.4464000      0.1487000    
 N    6.034300      0.5019000      0.5638000    
 N   -1.555700       1.695300     -0.2780000    
 C    4.185600      -1.345000     -0.3274000    
 C    3.843500      8.6599998E-02  6.1700001E-02
 C    5.577100      -1.354800     -0.9401000    
 C    2.425100      0.5635000     -3.8899999E-02
 C    4.102000      -2.258700      0.8970000    
 C   8.8299997E-02  0.1485000      3.5000000E-02
 C    1.386300     -0.3524000      0.1392000    
 C  -0.1968000       1.484800     -0.2313000    
 C    6.551500     -0.5967000     -8.1299998E-02
 C    2.175600       1.908900     -0.3069000    
 C   0.8639000       2.389400     -0.4071000    
 C   -2.091500      0.5178000     -4.6100002E-02
 C   -3.502900      0.2227000      9.4999997E-03
 C   -4.403200       1.201100      0.4297000    
 C   -3.965800      -1.040700     -0.3575000    
 C   -5.767500      0.9160000      0.4833000    
 C   -5.330100      -1.325800     -0.3041000    
 C   -6.231100     -0.3473000      0.1163000    
 C   -7.967900      -1.936500     -0.2213000    
 H    3.475400      -1.699900      -1.083100    
 H    5.562700     -0.8657000      -1.921800    
 H    5.936800      -2.380300      -1.077800    
 H    4.287700      -3.298900      0.6082000    
 H    4.846800      -1.987300       1.653600    
 H    3.131700      -2.221800       1.396000    
 H    1.534100      -1.404500      0.3335000    
 H    2.992100       2.612500     -0.4520000    
 H   0.6764000       3.437500     -0.6176000    
 H   -1.303100      -1.423500      0.3552000    
 H    6.644600       1.113800       1.096000    
 H   -4.062900       2.191300      0.7229000    
 H   -3.291300      -1.820700     -0.7022000    
 H   -6.464600       1.681900      0.8122000    
 H   -5.622400      -2.325800     -0.6058000    
 H   -7.738000      -2.132900      -1.274100    
 H   -9.057000      -1.982000     -0.1182000    
 H   -7.551600      -2.700600      0.4440000    


%chk=000004823-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004823

0 1
O 7.961831 -0.752718 -0.411723
O -7.758407 -0.454682 -0.079411
N 4.835872 1.020582 0.196009
N -1.119871 -0.592867 -0.109538
N 6.181290 0.623110 0.160900
N -1.581001 1.624530 0.178779
C 4.309721 -1.379192 -0.251062
C 3.916634 0.085460 -0.031079
C 5.658343 -1.452420 -1.011184
C 2.498152 0.513529 0.016968
C 4.385730 -2.111239 1.119743
C 0.126345 0.044929 -0.032147
C 1.445132 -0.435205 -0.102508
C -0.190522 1.435537 0.149454
C 6.715111 -0.544227 -0.395169
C 2.183788 1.906051 0.201672
C 0.864674 2.374017 0.267108
C -2.119640 0.390375 0.021808
C -3.555630 0.103518 -0.009710
C -4.472864 1.187824 0.122492
C -4.078763 -1.206015 -0.167223
C -5.855161 0.968157 0.095844
C -5.469508 -1.441431 -0.195496
C -6.363506 -0.348740 -0.064464
C -8.341263 -1.789689 -0.242338
H 3.548481 -1.880898 -0.873961
H 5.524181 -1.132177 -2.064294
H 6.055118 -2.481231 -1.028457
H 4.639478 -3.177136 0.972402
H 5.161046 -1.661918 1.766137
H 3.423080 -2.051216 1.656831
H 1.649767 -1.501394 -0.238891
H 3.022687 2.601021 0.290395
H 0.642912 3.436295 0.404399
H -1.275581 -1.590015 -0.236674
H 6.832931 1.341047 0.485046
H -4.064621 2.195402 0.244855
H -3.411234 -2.070849 -0.270154
H -6.565394 1.794126 0.196150
H -5.839821 -2.463363 -0.317304
H -8.042214 -2.243359 -1.207174
H -9.429103 -1.630807 -0.228423
H -8.050900 -2.459223 0.590496


