%chk=000117015.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117015

0 1
 O  -0.7313000       2.325000     -8.9299999E-02
 O    1.732300      -2.380400      7.3500000E-02
 N   -2.309200      0.1633000     -1.7400000E-02
 C  -0.9544000     -2.7200000E-02 -8.7000001E-03
 C  -0.3224000      -1.211700      3.7500001E-02
 C    1.329400       1.162300     -5.5900000E-02
 C    1.953800     -2.5200000E-02  6.2000002E-03
 C  -0.1607000       1.235100     -5.5900000E-02
 C    1.165400      -1.289500      4.3400001E-02
 C   -1.017800      -2.546900      8.6499996E-02
 C    2.017800       2.498200     -0.1462000    
 C    3.445800     -0.2179000      6.0100000E-02
 C   -3.143300     -0.3881000      -1.075100    
 C   -3.005400      0.7029000       1.141200    
 H  -0.5620000      -3.193700      0.8445000    
 H  -0.9467000      -3.047300     -0.8846000    
 H   -2.073200      -2.468200      0.3585000    
 H    3.077800       2.426200     -0.3987000    
 H    1.928600       3.033300      0.8049000    
 H    1.564300       3.112700     -0.9322000    
 H    3.811200     -0.6026000     -0.8976000    
 H    3.713500     -0.9344000      0.8449000    
 H    3.995200      0.6970000      0.2924000    
 H   -2.551800     -0.7004000      -1.943100    
 H   -3.855700      0.3681000      -1.422400    
 H   -3.714200      -1.249500     -0.7141000    
 H   -2.317800       1.156900       1.863600    
 H   -3.553100     -9.3400002E-02   1.656400    
 H   -3.720900       1.471900      0.8318000    


%chk=000117015-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117015

0 1
O -0.751111 2.369626 0.090984
O 1.799946 -2.439639 -0.084787
N -2.354551 0.063660 0.033222
C -0.961971 -0.052259 0.080259
C -0.296026 -1.281448 0.030257
C 1.327792 1.174979 0.068255
C 1.966337 -0.038730 -0.051206
C -0.161061 1.238891 0.100629
C 1.172237 -1.318087 -0.057920
C -0.987680 -2.622417 0.175451
C 2.077510 2.487534 0.136235
C 3.468490 -0.157450 -0.140420
C -3.176415 -0.775672 -0.856311
C -3.116537 1.121024 0.726958
H -0.297702 -3.324252 0.672131
H -1.248124 -3.086481 -0.795495
H -1.911869 -2.530519 0.770915
H 2.783206 2.588887 -0.709182
H 2.677448 2.557399 1.064256
H 1.371698 3.332017 0.113349
H 3.852800 0.338440 -1.053078
H 3.760130 -1.218638 -0.162760
H 3.961034 0.335638 0.719045
H -2.537252 -1.354569 -1.537402
H -3.826222 -0.118028 -1.468126
H -3.829315 -1.475158 -0.297382
H -2.532842 1.549133 1.552640
H -4.039808 0.666072 1.138552
H -3.394942 1.946544 0.045132