%chk=000084823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084823

0 1
 O  -0.9135000       1.047100      2.9999999E-02
 O    4.914300      -1.502700     -0.1323000    
 N   -4.249500     -0.4888000     -0.2837000    
 C   -3.253200      0.5640000     -8.8500001E-02
 C   -1.846800     -1.0600000E-02 -0.1468000    
 C   -5.598700      7.5300001E-02 -0.2686000    
 C   -4.114200      -1.518000      0.7463000    
 C   0.4140000      0.7071000      2.5100000E-02
 C    1.377700       1.694800      0.1932000    
 C   0.7831000     -0.6221000     -0.1464000    
 C    3.107300      1.7300000E-02  1.7999999E-02
 C    2.729000       1.348700      0.1895000    
 C    2.134400     -0.9683000     -0.1501000    
 C    4.516100     -0.3438000      1.4300000E-02
 H   -3.398600       1.092700      0.8635000    
 H   -3.349100       1.324800     -0.8742000    
 H   -1.700100     -0.4919000      -1.122400    
 H   -1.704100     -0.7239000      0.6713000    
 H   -5.710500      0.8281000      -1.057000    
 H   -5.840900      0.5435000      0.6925000    
 H   -6.344200     -0.7016000     -0.4718000    
 H   -4.959000      -2.216500      0.6997000    
 H   -4.088300      -1.099400       1.759100    
 H   -3.229100      -2.141800      0.5873000    
 H    1.087000       2.732800      0.3275000    
 H   8.5000001E-02  -1.439900     -0.2852000    
 H    3.475200       2.127900      0.3217000    
 H    2.407300      -2.011700     -0.2860000    
 H    5.238400      0.4789000      0.1515000    


%chk=000084823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084823

0 1
O -0.862040 0.859465 0.219576
O 5.280371 -1.236185 -0.515428
N -4.322582 -0.510076 -0.097258
C -3.240371 0.474507 0.129196
C -1.868584 -0.184513 -0.069614
C -5.569859 0.103181 -0.597922
C -4.568024 -1.385969 1.067888
C 0.486621 0.532377 0.097379
C 1.396151 1.584827 0.387320
C 0.968262 -0.751037 -0.288150
C 3.274710 0.075956 -0.091901
C 2.776050 1.353238 0.291799
C 2.353686 -0.967108 -0.378913
C 4.732113 -0.146696 -0.186431
H -3.281622 0.940544 1.143683
H -3.340133 1.291979 -0.606823
H -1.765078 -0.539363 -1.112505
H -1.721277 -1.038544 0.620504
H -5.363597 0.671647 -1.521680
H -6.054365 0.794771 0.136600
H -6.297167 -0.691200 -0.844356
H -5.298593 -2.167889 0.794950
H -4.967025 -0.831534 1.954807
H -3.637149 -1.893070 1.375681
H 0.992883 2.558617 0.680125
H 0.275098 -1.566000 -0.515219
H 3.481361 2.163788 0.514801
H 2.752882 -1.944117 -0.673621
H 5.356279 0.750404 0.063010


