%chk=000052086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052086

0 1
 O    4.132900     -0.3268000     -0.3497000    
 O   -1.426000      -2.346800     -0.6193000    
 N   -4.404900       1.084800      9.9999998E-03
 N  -0.9235000     -8.2999997E-02 -0.5578000    
 C   -5.277600      4.0000002E-03 -0.4478000    
 C   -5.106400       1.684300       1.144700    
 C   -6.662100      0.6315000     -0.3808000    
 C   -6.548700       1.738200      0.6631000    
 C   -3.075000      0.6123000      0.3657000    
 C   -2.239200      0.3936000     -0.8868000    
 C  -0.6205000      -1.435200     -0.4494000    
 C   0.7794000      -1.763800     -7.6300003E-02
 C    5.041500       1.871100     -3.4800000E-02
 C    3.806500       1.061100     -0.4027000    
 C    1.811400     -0.8803000     -0.3926000    
 C    4.758700       3.370700     -5.5799998E-02
 C    3.125600      -1.188700     -4.1499998E-02
 C    1.061700      -2.955900      0.5906000    
 C    3.407800      -2.380800      0.6256000    
 C    2.375900      -3.264400      0.9417000    
 C    5.982500       4.174100      0.3539000    
 H   -5.236500     -0.8670000      0.2190000    
 H   -5.045600     -0.3249000      -1.465400    
 H   -4.725800       2.681500       1.387200    
 H   -5.037300       1.055000       2.041400    
 H   -6.942300       1.062800      -1.349100    
 H   -7.424200     -0.1057000     -0.1085000    
 H   -7.253400       1.591700       1.488000    
 H   -6.769000       2.707700      0.2008000    
 H   -2.565200       1.371400      0.9748000    
 H   -3.112900     -0.2957000      0.9819000    
 H   -2.709800     -0.3305000      -1.560400    
 H   -2.113800       1.332800      -1.437200    
 H  -0.2293000      0.6215000     -0.3327000    
 H    5.391700       1.565100      0.9591000    
 H    5.857000       1.628000     -0.7274000    
 H    3.011500       1.315200      0.3105000    
 H    3.481000       1.313300      -1.418600    
 H    4.445600       3.676300      -1.060800    
 H    3.933200       3.604700      0.6265000    
 H    1.600500      1.4500000E-02 -0.9693000    
 H   0.2710000      -3.655100      0.8499000    
 H    4.429600      -2.626200      0.9020000    
 H    2.595700      -4.191900       1.462200    
 H    6.299800       3.915800       1.369200    
 H    5.758200       5.245200      0.3303000    
 H    6.819900       3.987300     -0.3260000    


%chk=000052086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052086

0 1
O 4.223431 -0.152931 0.418247
O -1.428501 -2.157999 -0.876673
N -4.694977 0.979313 0.190350
N -1.034990 0.045147 -0.240107
C -5.461902 0.148504 -0.782902
C -5.620963 1.197338 1.332385
C -6.930920 0.655787 -0.664889
C -6.956855 1.528956 0.633743
C -3.376706 0.440016 0.569132
C -2.380851 0.503885 -0.614611
C -0.641011 -1.277222 -0.404745
C 0.769872 -1.607656 0.017525
C 5.381613 1.941313 0.079280
C 4.025500 1.240641 -0.023373
C 1.811305 -0.640230 0.007981
C 5.307976 3.423088 -0.358209
C 3.117353 -1.015366 0.406680
C 1.042008 -2.939504 0.407016
C 3.384002 -2.345416 0.820082
C 2.347435 -3.298330 0.812649
C 6.676097 4.131599 -0.261918
H -5.401116 -0.936829 -0.517340
H -5.055058 0.263884 -1.802730
H -5.253377 2.012493 1.981691
H -5.730990 0.276535 1.962146
H -7.224391 1.252773 -1.544878
H -7.629316 -0.196423 -0.595053
H -7.827647 1.310663 1.276131
H -6.982901 2.600766 0.371924
H -2.983116 1.050211 1.406056
H -3.435136 -0.620122 0.924579
H -2.726173 -0.152263 -1.430954
H -2.331220 1.542111 -0.990722
H -0.430003 0.681090 0.280915
H 5.742179 1.873434 1.123526
H 6.113321 1.398479 -0.549130
H 3.272653 1.734460 0.627852
H 3.651579 1.250760 -1.069253
H 4.934266 3.483863 -1.400778
H 4.569338 3.959932 0.271710
H 1.615967 0.372235 -0.359583
H 0.228120 -3.669784 0.376016
H 4.402836 -2.604909 1.123552
H 2.559927 -4.327096 1.122724
H 7.060752 4.111426 0.774963
H 6.605177 5.188594 -0.576484
H 7.425015 3.635584 -0.907121


