%chk=000063826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063826

0 1
 O  -0.3199000     -0.7893000      -1.285600    
 O    2.399300      -4.019500      3.2600001E-02
 O    4.834900      -3.060900     -0.9020000    
 N   0.3031000       1.026100      0.6537000    
 N  -0.9569000      0.4788000      0.5647000    
 N   -3.128600      0.3883000       1.460000    
 C    1.196900      0.4350000       1.625200    
 C   0.5601000       2.203500     -5.0000001E-02
 C   -1.920100      0.8596000       1.478400    
 C    2.164100     -0.4987000      0.9520000    
 C   -1.157100     -0.4342000     -0.4632000    
 C   -2.532100     -0.9832000     -0.5007000    
 C   -3.456800     -0.5487000      0.4616000    
 C    1.753900       2.910000      0.1560000    
 C  -0.3705000       2.698700     -0.9749000    
 C   -1.543700       1.864200       2.537900    
 C    1.830600      -1.838500      0.8017000    
 C    3.379000     -1.0400000E-02  0.4891000    
 C   -2.895100      -1.915700      -1.477700    
 C   -4.755800      -1.067800      0.4263000    
 C    2.727600      -2.705200      0.1775000    
 C    4.276100     -0.8772000     -0.1350000    
 C   -4.193900      -2.421600      -1.497000    
 C    2.011700       4.086300     -0.5479000    
 C  -0.1126000       3.875000      -1.678900    
 C   -5.122700      -1.998900     -0.5473000    
 C    3.950500      -2.224500     -0.2907000    
 C    1.078400       4.568900      -1.465400    
 H   0.6340000     -0.1494000       2.367200    
 H    1.721300       1.180400       2.235000    
 H    2.482600       2.631200      0.9047000    
 H   -1.314200       2.202100      -1.180300    
 H   -2.432200       2.145300       3.112700    
 H   -1.130400       2.772700       2.095200    
 H  -0.8188000       1.433800       3.232400    
 H   0.8805000      -2.219800       1.166900    
 H    3.689500       1.015600      0.6300000    
 H   -2.185000      -2.256800      -2.225500    
 H   -5.492800     -0.7489000       1.159500    
 H    5.229600     -0.4920000     -0.4866000    
 H   -4.482700      -3.146200      -2.252800    
 H    2.931200       4.636400     -0.3699000    
 H  -0.8395000       4.252100      -2.392400    
 H   -6.134000      -2.394700     -0.5643000    
 H    1.277200       5.486900      -2.010500    
 H    3.134000      -4.470200     -0.4189000    
 H    5.624000      -2.554100      -1.159700    


%chk=000063826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063826

0 1
O -0.730229 -0.920994 -1.605664
O 5.575594 -1.736290 2.103925
O 5.838239 -2.483321 -0.478687
N 0.093337 0.578128 0.562183
N -1.269763 0.270286 0.358806
N -3.534186 0.512972 1.143611
C 0.859618 -0.324795 1.450129
C 0.566243 1.840232 0.115820
C -2.241740 0.755995 1.278262
C 2.167873 -0.865300 0.868937
C -1.615791 -0.515918 -0.803432
C -3.061195 -0.778242 -0.929499
C -3.969076 -0.253543 0.044942
C 1.843200 2.315329 0.529912
C -0.228863 2.657733 -0.736311
C -1.750875 1.574600 2.444849
C 3.278884 -1.027782 1.733830
C 2.269409 -1.248270 -0.489352
C -3.546536 -1.545788 -2.020972
C -5.360665 -0.511442 -0.094799
C 4.479557 -1.575556 1.248097
C 3.478482 -1.790483 -0.981764
C -4.923262 -1.792968 -2.145235
C 2.301257 3.577649 0.097471
C 0.244131 3.917377 -1.156110
C -5.829947 -1.272726 -1.177967
C 4.575048 -1.954771 -0.116291
C 1.510463 4.392497 -0.743786
H 0.179955 -1.166906 1.676960
H 1.080447 0.182037 2.415555
H 2.487903 1.701256 1.163217
H -1.206311 2.308131 -1.081466
H -2.627202 1.877555 3.035025
H -1.205123 2.473390 2.107898
H -1.066602 0.995623 3.090887
H 3.232237 -0.734112 2.788758
H 1.406375 -1.116514 -1.149339
H -2.823085 -1.929439 -2.747569
H -6.037957 -0.101298 0.660069
H 3.557730 -2.082429 -2.036805
H -5.301849 -2.384711 -2.985154
H 3.289138 3.922264 0.424030
H -0.383729 4.527986 -1.814931
H -6.903020 -1.468135 -1.280390
H 1.873536 5.371190 -1.073873
H 6.326924 -2.128827 1.585740
H 5.876124 -2.717171 -1.436417


