%chk=000126855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126855

0 1
 O   -3.954200      0.3826000      -1.331900    
 O    6.062000       2.899500      0.7441000    
 O    4.352700       1.933700       1.894300    
 N   -6.646200     -9.1399997E-02   1.169300    
 N    3.572800      0.5202000     -0.3937000    
 N    2.345900      0.9992000     -0.6683000    
 N    4.661600      -1.542900      0.2453000    
 C   -4.752300      0.7309000     -0.2017000    
 C   -5.756400     -0.3951000      5.6899998E-02
 C    1.554100     -6.7000002E-02 -0.5132000    
 C    2.264700      -1.225600     -0.1416000    
 C   0.1337000      4.8900001E-02 -0.7244000    
 C    3.583600     -0.8050000     -7.2400004E-02
 C   -5.418100       2.067800     -0.5022000    
 C   -2.612200      0.2731000      -1.132400    
 C  -0.5911000      -1.049900      -1.178400    
 C  -0.5075000       1.259400     -0.4733000    
 C   -1.966300     -0.9376000      -1.382900    
 C   -1.882700       1.371700     -0.6777000    
 C    4.712100       1.405100     -0.4567000    
 C    1.988000      -2.567700      0.1466000    
 C   -5.886100      6.7800000E-02   2.410900    
 C   -7.656100      -1.140700       1.325000    
 C    3.067800      -3.384200      0.4834000    
 C    4.344100      -2.832300      0.5155000    
 C    4.986100       2.079400      0.8595000    
 H   -4.107500      0.8551000      0.6763000    
 H   -5.213700      -1.336900      0.2183000    
 H   -6.342000     -0.5478000     -0.8601000    
 H   -5.999500       2.438400      0.3469000    
 H   -6.083700       1.983200      -1.368700    
 H   -4.673400       2.827900     -0.7593000    
 H  -0.1249000      -1.993000      -1.441100    
 H   3.2800000E-02   2.130900     -0.1119000    
 H   -2.528100      -1.792800      -1.748600    
 H   -2.365800       2.324800     -0.4845000    
 H    4.507300       2.162100      -1.220900    
 H    5.584500      0.8157000     -0.7555000    
 H   0.9871000      -2.983300      0.1461000    
 H   -5.229600     -0.7869000       2.610800    
 H   -6.568300      0.1701000       3.263700    
 H   -5.290600      0.9854000       2.413800    
 H   -7.208100      -2.114400       1.554300    
 H   -8.251300      -1.240700      0.4104000    
 H   -8.357500     -0.8849000       2.127000    
 H    2.913100      -4.431000      0.7230000    
 H    5.194300      -3.456500      0.7780000    
 H    6.266000       3.356000       1.588100    


%chk=000126855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126855

0 1
O -3.948729 -0.703118 -0.346322
O 5.750784 3.280752 1.193769
O 4.533291 1.552764 2.173650
N -7.120382 0.508569 1.205623
N 3.749282 0.668825 -0.446483
N 2.375442 0.915663 -0.387059
N 5.256639 -1.246540 -0.622066
C -4.834737 0.369212 0.185253
C -6.151319 -0.369698 0.511336
C 1.757733 -0.303931 -0.469815
C 2.750546 -1.359650 -0.571333
C 0.288868 -0.387971 -0.436817
C 4.021923 -0.686003 -0.551402
C -5.026734 1.489487 -0.844510
C -2.561439 -0.514464 -0.357169
C -0.410232 -1.508951 -0.967343
C -0.476683 0.670697 0.120512
C -1.812893 -1.574601 -0.928145
C -1.883206 0.620072 0.162019
C 4.701949 1.748045 -0.306590
C 2.790211 -2.776617 -0.634950
C -6.826309 0.671642 2.644772
C -8.524592 0.110969 0.975405
C 4.056471 -3.393230 -0.701517
C 5.246434 -2.604826 -0.703522
C 4.945089 2.134464 1.155135
H -4.389425 0.763735 1.121219
H -5.903272 -1.285944 1.100919
H -6.596565 -0.707456 -0.442554
H -5.800172 2.183270 -0.470787
H -5.372401 1.061433 -1.802637
H -4.095948 2.051362 -1.032454
H 0.141049 -2.323250 -1.447899
H 0.050252 1.539474 0.527539
H -2.352937 -2.433576 -1.337736
H -2.432816 1.457596 0.600772
H 4.352381 2.636151 -0.857743
H 5.664879 1.423866 -0.739431
H 1.879497 -3.382121 -0.616451
H -6.920897 -0.284008 3.220427
H -7.523559 1.407411 3.083621
H -5.801151 1.054169 2.790505
H -8.779891 -0.892300 1.401090
H -8.733928 0.087894 -0.108416
H -9.198962 0.854775 1.437190
H 4.143780 -4.482660 -0.748574
H 6.228358 -3.086709 -0.765194
H 5.935420 3.526627 2.140264


