%chk=000077833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077833

0 1
 O   9.4899997E-02  -1.436700       1.047100    
 O  -0.1463000      -1.099600      -2.413000    
 O   0.3352000      -3.693600       1.300300    
 N   0.1730000      -2.687400     -0.7704000    
 C   1.0300000E-02 -0.4772000     -4.7499999E-02
 C    1.248600      0.4084000      7.9499997E-02
 C   -1.296700      0.3134000      9.7000003E-03
 C   4.6000001E-03  -1.419200      -1.241900    
 C    1.436200       1.185200       1.222800    
 C   -1.561800       1.305300     -0.9395000    
 C    2.191900      0.4399000     -0.9476000    
 C   -2.236200      4.9500000E-02   1.011100    
 C   0.2183000      -2.711900      0.5814000    
 C    2.566800       1.993700       1.339000    
 C   -2.754400       2.026600     -0.8877000    
 C    3.322700       1.248400     -0.8313000    
 C   -3.429000      0.7707000       1.062800    
 C    3.510100       2.025300      0.3120000    
 C   -3.688100       1.759300      0.1133000    
 H   0.2178000      -3.511700      -1.358400    
 H   0.7138000       1.169800       2.034500    
 H  -0.8470000       1.529800      -1.726800    
 H    2.093600     -0.1482000      -1.853000    
 H   -2.069500     -0.7121000       1.767000    
 H    2.713400       2.597800       2.229500    
 H   -2.956100       2.796500      -1.626600    
 H    4.058200       1.272700      -1.630100    
 H   -4.156500      0.5630000       1.842200    
 H    4.390800       2.654400      0.4027000    
 H   -4.616800       2.321000      0.1538000    


%chk=000077833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077833

0 1
O 0.016641 -1.444218 1.176017
O 0.115547 -1.225910 -2.439934
O 0.066063 -3.762576 1.514436
N 0.107289 -2.779275 -0.656923
C 0.031947 -0.517842 -0.010506
C 1.278242 0.377054 0.098339
C -1.280872 0.287165 -0.022946
C 0.092667 -1.499623 -1.220563
C 1.707442 0.787447 1.385595
C -1.556495 1.148109 -1.114682
C 1.960188 0.843545 -1.051876
C -2.200099 0.192931 1.049135
C 0.065124 -2.786586 0.756106
C 2.811842 1.655111 1.518744
C -2.746994 1.905423 -1.131827
C 3.064302 1.714685 -0.910876
C -3.387995 0.958610 1.027712
C 3.493103 2.124242 0.371249
C -3.666026 1.815633 -0.060243
H 0.137821 -3.641721 -1.202170
H 1.185649 0.416734 2.272795
H -0.852679 1.219905 -1.950002
H 1.640732 0.526318 -2.049726
H -1.983577 -0.470031 1.891155
H 3.140674 1.964255 2.516950
H -2.955571 2.565721 -1.980624
H 3.588997 2.069152 -1.804847
H -4.093978 0.883116 1.862081
H 4.349982 2.798707 0.476692
H -4.588165 2.407018 -0.074362


