%chk=000050727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050727

0 1
 O   -1.837800      -1.800600     -7.5099997E-02
 O   -3.244900      -1.727100       1.745400    
 N   0.7364000      -2.741200     -0.7909000    
 N   -3.971600       4.023400     -0.9824000    
 C    1.373600      -2.703700      0.5201000    
 C    2.541200      -1.718300      0.5147000    
 C    2.070000     -0.3076000      0.1521000    
 C  -0.4393000      -3.613200     -0.7680000    
 C    3.205100      0.6836000      0.1790000    
 C    1.683600      -3.193100      -1.811700    
 C   -1.448700      -3.126300      0.2594000    
 C    3.494400       1.357100       1.356600    
 C    3.942400      0.9071000     -0.9744000    
 C    4.544700       2.274800       1.381400    
 C    4.992800       1.824700     -0.9497000    
 C    5.293800       2.508500      0.2283000    
 C   -2.745600      -1.216300      0.7549000    
 C   -3.068000      0.1590000      0.2975000    
 C   -4.323000      0.6709000      0.5564000    
 C   -2.102300      0.8832000     -0.3712000    
 C   -4.625500       1.963500      0.1277000    
 C   -2.404800       2.175700     -0.7997000    
 C   -3.666400       2.715900     -0.5503000    
 H    1.731300      -3.695500      0.8251000    
 H   0.6991000      -2.347200       1.303300    
 H    2.972500      -1.701700       1.525100    
 H    3.359700      -2.046400     -0.1359000    
 H    1.285600      1.8600000E-02  0.8479000    
 H    1.610000     -0.2818000     -0.8433000    
 H  -0.1655000      -4.653900     -0.5539000    
 H  -0.9168000      -3.588400      -1.755800    
 H    2.163300      -4.142100      -1.545500    
 H    1.169800      -3.338200      -2.769900    
 H    2.456600      -2.446900      -2.017900    
 H   -2.336000      -3.768700      0.1854000    
 H   -1.101800      -3.195300       1.294900    
 H    2.918000       1.180700       2.260300    
 H    3.717200      0.3779000      -1.896000    
 H    4.779500       2.807000       2.298600    
 H    5.576600       2.006300      -1.847300    
 H    6.111700       3.222800      0.2476000    
 H   -5.078900      9.3800001E-02   1.080500    
 H   -1.108900      0.4907000     -0.5662000    
 H   -5.612400       2.373000      0.3278000    
 H   -1.647700       2.753200      -1.324200    
 H   -3.277100       4.568400      -1.475800    
 H   -4.886700       4.414900     -0.8037000    


%chk=000050727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050727

0 1
O -1.815369 -1.637673 -0.080712
O -3.111596 -1.367653 1.841672
N 0.879827 -2.864577 -0.757800
N -4.508904 3.990728 -1.588082
C 1.860156 -3.080902 0.334735
C 2.928143 -1.968029 0.423789
C 2.310191 -0.573982 0.720294
C -0.406218 -3.566076 -0.543701
C 3.343276 0.539724 0.665422
C 1.447490 -3.120655 -2.096062
C -1.308296 -2.905372 0.499270
C 4.010493 0.982779 1.837109
C 3.695982 1.138035 -0.573489
C 5.001531 1.989247 1.775602
C 4.685970 2.143819 -0.641881
C 5.344786 2.573171 0.534266
C -2.731414 -0.933951 0.720284
C -3.168545 0.330088 0.090524
C -4.138616 1.123371 0.761968
C -2.652733 0.786399 -1.153554
C -4.586852 2.332511 0.213152
C -3.093172 1.995811 -1.711223
C -4.069998 2.791310 -1.037470
H 2.369154 -4.074513 0.228137
H 1.308085 -3.109819 1.293467
H 3.652581 -2.235035 1.218914
H 3.510420 -1.916077 -0.516654
H 1.833022 -0.602829 1.719989
H 1.502214 -0.404787 -0.015834
H -0.257946 -4.634622 -0.235722
H -0.955357 -3.585593 -1.502921
H 1.759183 -4.185899 -2.250463
H 0.703378 -2.862880 -2.870131
H 2.335246 -2.486149 -2.260772
H -2.169309 -3.555812 0.743854
H -0.779904 -2.678195 1.442915
H 3.745423 0.538712 2.805164
H 3.180744 0.816990 -1.488046
H 5.501556 2.320346 2.693341
H 4.939871 2.596523 -1.607628
H 6.110739 3.355501 0.484469
H -4.527592 0.766194 1.721535
H -1.900579 0.181207 -1.667714
H -5.336208 2.933055 0.742977
H -2.684836 2.338766 -2.669743
H -4.138422 4.325085 -2.473086
H -5.198395 4.562908 -1.108960


