%chk=000033076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033076

0 1
 O   -6.111600      -2.140700      1.9400001E-02
 O   -1.464900       3.214600     -5.4800000E-02
 N   -4.133400     -9.0700001E-02  0.1108000    
 N   -3.072400      0.6495000      0.4940000    
 C   -5.236600     -0.1412000       1.075300    
 C   -3.835500      -1.426600     -0.4185000    
 C   -6.454200     -0.8305000      0.4696000    
 C   -5.094300      -2.078800     -0.9796000    
 C    2.599900      0.2702000     -3.2299999E-02
 C   8.4600002E-02   1.411800     -0.1597000    
 C   -2.454400       1.172700     -0.5059000    
 C    3.916000     -0.3272000      3.4200002E-02
 C   -1.260800       2.022100     -0.2267000    
 C    1.485100     -0.5261000     -0.2946000    
 C    2.445800       1.642200      0.1658000    
 C   0.2163000      4.9800001E-02 -0.3588000    
 C    1.177000       2.218100      0.1016000    
 C    4.405200     -0.8017000       1.251200    
 C    4.695700     -0.4281000      -1.117900    
 C    5.674000      -1.377300       1.316000    
 C    5.964600      -1.003700      -1.053000    
 C    6.453800      -1.478400      0.1639000    
 H   -5.516600      0.8732000       1.381900    
 H   -4.911800     -0.6834000       1.972500    
 H   -3.423400      -2.050100      0.3853000    
 H   -3.084900      -1.377500      -1.215400    
 H   -7.239200     -0.9326000       1.225800    
 H   -6.871100     -0.2534000     -0.3648000    
 H   -5.472700      -1.537800      -1.855500    
 H   -4.874000      -3.104100      -1.294000    
 H   -2.719500       1.062800      -1.572300    
 H    1.588000      -1.597200     -0.4520000    
 H    3.304500       2.277300      0.3713000    
 H  -0.6277000     -0.5990000     -0.5678000    
 H    1.076100       3.288100      0.2585000    
 H    3.810500     -0.7308000       2.159000    
 H    4.329700     -6.3100003E-02  -2.074600    
 H    6.055000      -1.746800       2.263600    
 H    6.571800      -1.082400      -1.950000    
 H    7.441700      -1.926600      0.2144000    


%chk=000033076-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033076

0 1
O -6.474135 -1.977819 -0.169388
O -1.269966 3.099053 -1.496909
N -3.988358 -0.569087 -0.428686
N -2.746759 -0.019488 -0.535395
C -4.006709 -2.043941 -0.321900
C -5.242812 0.069480 -0.900576
C -5.249448 -2.505504 0.456035
C -6.447602 -0.510693 -0.128785
C 2.655316 0.291971 0.097538
C 0.058107 1.284652 -0.628433
C -2.570177 1.233402 -0.939384
C 4.001154 -0.222897 0.476970
C -1.252369 1.903589 -1.032015
C 1.482201 -0.482927 0.312823
C 2.498663 1.579248 -0.492015
C 0.206965 -0.002417 -0.041891
C 1.229281 2.064106 -0.845368
C 5.022935 0.661102 0.923941
C 4.302700 -1.611644 0.402134
C 6.297814 0.175404 1.283582
C 5.577378 -2.098773 0.760656
C 6.582592 -1.207733 1.203822
H -3.078183 -2.353882 0.185319
H -4.020509 -2.495609 -1.336703
H -5.363717 -0.091890 -1.993217
H -5.199037 1.157121 -0.714222
H -5.345243 -3.602418 0.425081
H -5.190150 -2.165330 1.512269
H -6.412104 -0.164730 0.926806
H -7.391380 -0.180149 -0.591537
H -3.387266 1.899017 -1.263365
H 1.567034 -1.463283 0.795506
H 3.384797 2.188716 -0.701888
H -0.681723 -0.610451 0.137221
H 1.107323 3.051167 -1.303455
H 4.807029 1.731104 1.020016
H 3.544057 -2.309328 0.029808
H 7.065909 0.873988 1.634014
H 5.790020 -3.171150 0.685297
H 7.572671 -1.585379 1.482196


