%chk=000042237.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042237

0 1
 O   0.8124000       2.433800     -0.8374000    
 O   -4.025300       1.565800      0.2020000    
 N   -3.505800     -0.7219000     -3.1199999E-02
 C   0.9730000       1.525300      0.2364000    
 C  -1.5799999E-02  0.3845000      0.1043000    
 C    2.299400      0.7944000      0.1597000    
 C   0.6648000     -0.8478000     -1.8900000E-02
 C    2.089400     -0.5956000      1.5200000E-02
 C   -1.398900      0.4477000      0.1040000    
 C  -4.1099999E-02  -2.032500     -0.1476000    
 C    3.575300       1.328700      0.2228000    
 C    3.164200      -1.464900     -7.0699997E-02
 C   -2.110100     -0.7465000     -2.6100000E-02
 C   -1.437900      -1.974300     -0.1508000    
 C    4.658200      0.4522000      0.1362000    
 C    4.454800     -0.9307000     -9.3000000E-03
 C   -4.351300      0.3894000      8.0399998E-02
 C   -5.805300     -7.7999998E-03  3.0800000E-02
 H   0.8701000       2.032200       1.202100    
 H   -1.845500       1.424900      0.2075000    
 H   0.4638000      -2.987900     -0.2445000    
 H    3.734300       2.395300      0.3368000    
 H    3.023200      -2.534700     -0.1831000    
 H   -2.000800      -2.899900     -0.2514000    
 H    5.671600      0.8421000      0.1823000    
 H    5.314000      -1.593200     -7.4400000E-02
 H   2.5699999E-02   2.973600     -0.6491000    
 H   -3.955900      -1.629800     -0.1286000    
 H   -6.027200     -0.4776000     -0.9314000    
 H   -6.435700      0.8781000      0.1480000    
 H   -6.026400     -0.7093000      0.8401000    


%chk=000042237-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042237

0 1
O 0.947953 2.570262 -0.769818
O -4.095764 1.558942 0.214701
N -3.568604 -0.718128 -0.025550
C 1.027187 1.537905 0.283499
C 0.007640 0.401475 0.151033
C 2.358103 0.803370 0.175586
C 0.682528 -0.846314 0.017338
C 2.139373 -0.600224 0.041477
C -1.389126 0.496931 0.146449
C -0.068183 -2.032898 -0.115632
C 3.655167 1.335000 0.192299
C 3.233914 -1.484955 -0.057110
C -2.143966 -0.703228 -0.000634
C -1.476581 -1.954364 -0.125954
C 4.756564 0.446334 0.084680
C 4.544792 -0.949491 -0.033674
C -4.460216 0.354272 0.073204
C -5.930428 -0.058165 -0.012905
H 0.922564 2.028344 1.277687
H -1.921115 1.444519 0.258178
H 0.422642 -3.007099 -0.214169
H 3.813045 2.415496 0.271816
H 3.081873 -2.565877 -0.154500
H -2.067906 -2.873198 -0.233883
H 5.778689 0.840861 0.090837
H 5.406873 -1.621700 -0.112013
H 0.054878 2.999853 -0.724631
H -3.991737 -1.642918 -0.137242
H -6.166021 -0.492026 -1.002653
H -6.552914 0.835593 0.135341
H -6.190022 -0.804970 0.760344


