%chk=000114234.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114234

0 1
 O    3.759500      -1.209100      0.1676000    
 C   -1.226500     -4.8000002E-03 -0.4174000    
 C   -2.686300      5.2000000E-03  3.2000002E-02
 C    1.686500      4.4000000E-03  0.1722000    
 C  -0.5070000       1.266700      5.0099999E-02
 C  -0.5090000      -1.257900      0.1000000    
 C   0.9688000       1.257800     -0.3446000    
 C   0.9666000      -1.267000     -0.2950000    
 C    3.145900     -6.0999999E-03 -0.2785000    
 C   -3.383700      -1.258300     -0.4861000    
 C   -2.744100      3.5399999E-02   1.564000    
 C   -3.381700       1.248400     -0.5356000    
 C    3.911000       1.185100      0.2714000    
 H   -1.186900     -2.6500000E-02  -1.516200    
 H    1.657100      7.1999999E-03   1.271200    
 H  -0.5409000       1.385800       1.136700    
 H  -0.9516000       2.164000     -0.3914000    
 H  -0.9550000      -2.171200     -0.3059000    
 H  -0.5431000      -1.334200       1.190400    
 H    1.052100       1.315400      -1.437400    
 H    1.426000       2.166900      6.0100000E-02
 H    1.428000      -2.159600      0.1431000    
 H    1.049400      -1.366200      -1.385000    
 H    3.215900      1.0700000E-02  -1.373200    
 H   -3.060100      -2.165800      3.3300001E-02
 H   -4.467400      -1.192200     -0.3303000    
 H   -3.219900      -1.396400      -1.560700    
 H   -2.307400      0.9330000       2.008400    
 H   -2.309000     -0.8448000       2.043400    
 H   -3.796100      4.2599998E-02   1.881100    
 H   -3.217600       1.343800      -1.614800    
 H   -4.465500       1.190300     -0.3774000    
 H   -3.056600       2.175300     -5.2400000E-02
 H    4.982900       1.065700      7.5900003E-02
 H    3.596500       2.129800     -0.1798000    
 H    3.803100       1.257300       1.359200    
 H    3.519000      -1.915700     -0.4553000    


%chk=000114234-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114234

0 1
O 3.963419 -1.208237 -0.013033
C -1.231873 0.006474 -0.306928
C -2.770114 0.000258 0.046806
C 1.779862 0.023242 0.174933
C -0.475339 1.269234 0.184637
C -0.465051 -1.249289 0.185853
C 1.000692 1.282997 -0.280960
C 1.013529 -1.247934 -0.272905
C 3.236835 0.033851 -0.367650
C -3.436362 -1.287324 -0.516821
C -3.019654 0.060395 1.579012
C -3.465924 1.219610 -0.622532
C 4.107420 1.160966 0.199896
H -1.177810 0.005073 -1.421186
H 1.834421 0.020521 1.285168
H -0.501667 1.304604 1.293218
H -0.973546 2.187739 -0.177481
H -0.951412 -2.171365 -0.182372
H -0.495192 -1.288926 1.294259
H 1.030630 1.342783 -1.390832
H 1.494348 2.196743 0.100594
H 1.505848 -2.155399 0.131980
H 1.049923 -1.317695 -1.382756
H 3.187530 0.123926 -1.479204
H -3.097618 -2.195843 0.012584
H -4.535585 -1.229771 -0.404789
H -3.212296 -1.413984 -1.593718
H -2.632645 0.996589 2.020992
H -2.545153 -0.788408 2.104902
H -4.105022 0.017287 1.789965
H -3.290135 1.226044 -1.715584
H -4.558836 1.176869 -0.455589
H -3.106805 2.180631 -0.213116
H 5.140611 1.056165 -0.172785
H 3.729397 2.154157 -0.097105
H 4.132794 1.103780 1.302986
H 3.493678 -1.980764 -0.417339


