%chk=000116282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116282

2 1
 O    5.088800      0.8674000     -0.4532000    
 O   -1.125600     -0.6649000     -0.4618000    
 N    2.557700     -0.3930000      0.1342000    
 N   -4.701800      0.1578000     -1.2100000E-02
 C    2.693000       1.103400     -0.1700000    
 C    3.738700      -1.145600     -0.4896000    
 C    1.262500     -0.9045000     -0.5041000    
 C    2.460100     -0.6521000       1.636300    
 C    4.073500       1.608800      0.2191000    
 C    5.058200     -0.5088000     -8.1900001E-02
 C   8.2400002E-02 -0.1695000      0.1003000    
 C   -3.521900     -0.5640000     -0.5514000    
 C   -2.261600     -2.7000001E-03  7.7100001E-02
 C   -4.598900       1.661700     -0.3003000    
 C   -5.996900     -0.3632000     -0.6499000    
 C   -4.808200     -3.0900000E-02   1.507200    
 H    1.938700       1.660100      0.3920000    
 H    2.534000       1.226000      -1.247500    
 H    3.612300      -1.079900      -1.576600    
 H    3.675600      -2.193000     -0.1763000    
 H    1.319100     -0.7414000      -1.587100    
 H    1.195900      -1.985500     -0.3306000    
 H    3.449300     -0.5447000       2.085400    
 H    1.801200      8.6300001E-02   2.100000    
 H    2.101600      -1.673000       1.797500    
 H    4.177000       2.656200     -8.2699999E-02
 H    4.240800       1.567500       1.301400    
 H    5.275000     -0.6107000      0.9861000    
 H    5.875100      -1.006300     -0.6153000    
 H   1.3100000E-02 -0.3172000       1.180600    
 H   0.1200000      0.9016000     -0.1142000    
 H   -3.628800      -1.634200     -0.3363000    
 H   -3.502400     -0.4467000      -1.641900    
 H   -2.139400       1.062900     -0.1332000    
 H   -2.247500     -0.1586000       1.159500    
 H   -5.570400       2.115900     -7.9200000E-02
 H   -3.847200       2.118200      0.3481000    
 H   -4.354800       1.796200      -1.358100    
 H   -6.079700      -1.430700     -0.4257000    
 H   -6.844200      0.1851000     -0.2277000    
 H   -5.932800     -0.2003000      -1.729700    
 H   -4.740500      -1.100000       1.728300    
 H   -4.018900      0.5318000       2.010900    
 H   -5.778800      0.3594000       1.829900    


%chk=000116282-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116282

2 1
O 5.287309 0.471314 -0.870123
O -1.125628 -0.233956 -0.091210
N 2.649955 -0.289176 0.255532
N -4.903544 0.105030 -0.086346
C 3.045063 1.167415 -0.113766
C 3.558599 -1.262215 -0.562003
C 1.197450 -0.574233 -0.171839
C 2.823283 -0.546112 1.752523
C 4.562244 1.398534 -0.001291
C 5.050023 -0.909651 -0.443341
C 0.109048 0.247015 0.548416
C -3.450549 -0.300585 -0.409682
C -2.353650 0.389662 0.425639
C -5.128080 1.600639 -0.327414
C -5.823477 -0.688623 -1.027122
C -5.267825 -0.242182 1.360110
H 2.487142 1.850056 0.548925
H 2.725208 1.314561 -1.159441
H 3.239088 -1.164166 -1.613085
H 3.347894 -2.285070 -0.204266
H 1.131876 -0.382235 -1.256161
H 1.014138 -1.648729 0.001220
H 3.890098 -0.530088 2.011605
H 2.304549 0.237703 2.323945
H 2.403492 -1.534644 1.994945
H 4.794219 2.409326 -0.372613
H 4.920876 1.325684 1.046363
H 5.449992 -1.081061 0.577291
H 5.617308 -1.546536 -1.140607
H 0.077891 0.043128 1.637933
H 0.224322 1.337815 0.383511
H -3.379698 -1.391630 -0.263398
H -3.284488 -0.082422 -1.477990
H -2.324522 1.485941 0.260626
H -2.457567 0.185835 1.511012
H -6.196586 1.825033 -0.188484
H -4.538536 2.185928 0.392990
H -4.829153 1.849821 -1.357007
H -5.673907 -1.765269 -0.854524
H -6.868991 -0.419214 -0.814786
H -5.578535 -0.436474 -2.069960
H -5.059051 -1.308000 1.538377
H -4.684035 0.381980 2.051879
H -6.339944 -0.045250 1.511117


