%chk=000052097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052097

0 1
 O    2.457300      -1.254800      0.7677000    
 O   0.2710000      7.2999999E-02   1.459000    
 N   -3.889700      0.5580000     -0.4362000    
 N  -0.3484000       1.641300     -0.1341000    
 C   -4.184600      0.1854000      0.9470000    
 C   -4.615200     -0.4137000      -1.254100    
 C   -5.672300     -0.1303000      0.9047000    
 C   -5.954600     -0.5275000     -0.5411000    
 C   -2.461800      0.5649000     -0.7174000    
 C   -1.760100       1.611400      0.1357000    
 C   0.5652000      0.8573000      0.5607000    
 C    1.991800       1.023600      0.1808000    
 C    2.863500     -3.9400000E-02  0.3034000    
 C    2.399700       2.256900     -0.2877000    
 C    2.618900      -2.369000     -0.1073000    
 C    4.199200      0.1377000     -5.7599999E-02
 C    1.516200      -3.378400      0.1732000    
 C    3.735500       2.433800     -0.6486000    
 C    4.635200       1.374200     -0.5334000    
 C    1.633300      -4.604200     -0.7147000    
 H   -3.993600      0.9928000       1.660500    
 H   -3.624900     -0.7053000       1.260400    
 H   -4.116500      -1.391600      -1.262400    
 H   -4.736300     -7.5199999E-02  -2.287800    
 H   -5.932800     -0.9319000       1.603400    
 H   -6.266600      0.7524000       1.168700    
 H   -6.688300      0.1601000     -0.9779000    
 H   -6.361500      -1.541300     -0.6109000    
 H   -2.014100     -0.4234000     -0.5462000    
 H   -2.297300      0.8037000      -1.776100    
 H   -1.886000       1.423600       1.206400    
 H   -2.150200       2.612300     -8.0399998E-02
 H  -4.4599999E-02   2.222900     -0.9080000    
 H    1.738200       3.114300     -0.3597000    
 H    2.568200      -2.052300      -1.157200    
 H    3.601000      -2.819600      7.5800002E-02
 H    4.914200     -0.6754000      3.5000000E-02
 H    1.550400      -3.677600       1.227600    
 H   0.5382000      -2.904300      2.6300000E-02
 H    4.077300       3.398800      -1.011400    
 H    5.676000       1.513200     -0.8108000    
 H    2.589000      -5.113900     -0.5558000    
 H   0.8294000      -5.312400     -0.4914000    
 H    1.560900      -4.330900      -1.772300    


%chk=000052097-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052097

0 1
O 2.055136 -1.307526 -0.166022
O 0.150526 0.258116 1.590439
N -4.108697 0.655979 -0.310043
N -0.440092 1.645417 -0.186102
C -4.493822 0.224730 1.062372
C -4.966531 -0.157278 -1.212589
C -6.039507 0.111463 0.991823
C -6.355316 -0.128638 -0.524815
C -2.667446 0.578670 -0.614144
C -1.871331 1.664629 0.149022
C 0.482857 0.925339 0.565130
C 1.910952 1.068053 0.086035
C 2.710721 -0.076188 -0.208047
C 2.498549 2.352142 -0.000423
C 2.848524 -2.535573 -0.362861
C 4.076333 0.081670 -0.555740
C 1.889405 -3.714863 -0.183347
C 3.858566 2.516429 -0.351384
C 4.642285 1.374655 -0.622612
C 2.612316 -5.067874 -0.360523
H -4.154234 0.951635 1.820051
H -4.038057 -0.766920 1.314408
H -4.597823 -1.213246 -1.287539
H -4.975217 0.271627 -2.230862
H -6.408359 -0.707768 1.633358
H -6.511785 1.046475 1.338063
H -6.965752 0.699299 -0.923858
H -6.909056 -1.068245 -0.696181
H -2.232242 -0.422179 -0.365805
H -2.537418 0.735357 -1.703024
H -1.945960 1.491784 1.236056
H -2.298671 2.657346 -0.081657
H -0.123378 2.087084 -1.050929
H 1.888221 3.229321 0.244365
H 3.294280 -2.536573 -1.380566
H 3.668001 -2.571557 0.385048
H 4.697962 -0.789401 -0.781312
H 1.432784 -3.647538 0.820830
H 1.066767 -3.619430 -0.916202
H 4.298491 3.517601 -0.399645
H 5.699507 1.484060 -0.889302
H 3.425323 -5.190715 0.379684
H 1.907408 -5.906962 -0.225430
H 3.055979 -5.161207 -1.369918


