%chk=000053279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053279

0 1
 O    5.105700     -0.9297000     -4.1900001E-02
 O   0.2994000      0.4645000      -1.391200    
 N    2.696500      0.5860000     -3.1300001E-02
 N  -0.8256000      0.4883000      0.6694000    
 C    2.680400     -0.8821000     -9.3400002E-02
 C    3.897600       1.046700      0.6789000    
 C    1.486400       1.091500      0.6136000    
 C    3.957800      -1.386600     -0.7585000    
 C    5.146100      0.4973000     -5.2999998E-03
 C   0.2686000      0.6477000     -0.1785000    
 C   -2.137400      8.7600000E-02  0.3202000    
 C   -3.074500       1.049900     -2.5100000E-02
 C   -2.463300      -1.260300      0.3300000    
 C   -4.367500      0.6552000     -0.3687000    
 C   -3.756400      -1.655100     -1.3600000E-02
 C   -2.739700       2.506400     -4.0800001E-02
 C   -1.465700      -2.310000      0.6992000    
 C   -4.708300     -0.6973000     -0.3629000    
 H    1.839100      -1.275700     -0.6710000    
 H    2.612700      -1.300700      0.9198000    
 H    3.875800      0.7088000       1.723200    
 H    3.943500       2.141700      0.6771000    
 H    1.419400      0.7468000       1.653100    
 H    1.481600       2.188000      0.6158000    
 H    3.975800      -2.481200     -0.7490000    
 H    4.025400      -1.062600      -1.804200    
 H    5.253600      0.8870000      -1.025000    
 H    6.038500      0.7904000      0.5568000    
 H  -0.7468000      0.8644000       1.611900    
 H   -5.121600       1.387700     -0.6441000    
 H   -4.039000      -2.704500     -1.5500000E-02
 H   -3.617300       3.124200     -0.2604000    
 H   -1.989100       2.717300     -0.8094000    
 H   -2.358200       2.824800      0.9351000    
 H  -0.6671000      -2.356200     -4.8300002E-02
 H   -1.029800      -2.100100       1.681700    
 H   -1.922200      -3.304200      0.7564000    
 H   -5.715000      -1.004800     -0.6308000    


%chk=000053279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053279

0 1
O 5.468870 -0.689505 0.029385
O 0.283854 -0.504085 -1.119072
N 2.768578 0.365821 0.034506
N -0.917889 0.487905 0.631616
C 3.028826 -1.066375 0.327451
C 3.922002 1.211394 0.427412
C 1.500779 0.857326 0.573062
C 4.316836 -1.514513 -0.379381
C 5.193529 0.720906 -0.286157
C 0.254567 0.197962 -0.072878
C -2.257440 0.114882 0.253085
C -3.218988 1.158881 0.101740
C -2.613152 -1.254958 0.087081
C -4.547733 0.813679 -0.236605
C -3.952636 -1.554036 -0.269402
C -2.822031 2.613935 0.284295
C -1.618050 -2.375449 0.304761
C -4.914435 -0.535840 -0.432201
H 2.181763 -1.663495 -0.051645
H 3.133015 -1.241052 1.429436
H 4.096943 1.188664 1.534130
H 3.719796 2.260034 0.134174
H 1.422331 0.734073 1.688910
H 1.440411 1.946545 0.371756
H 4.582829 -2.548042 -0.103320
H 4.176140 -1.442595 -1.478512
H 5.070514 0.843086 -1.383820
H 6.080562 1.280624 0.054472
H -0.830501 1.147767 1.410386
H -5.291939 1.609050 -0.360247
H -4.239328 -2.603364 -0.405129
H -3.650123 3.283154 -0.002753
H -1.942994 2.872621 -0.335021
H -2.563704 2.851226 1.336742
H -0.929250 -2.453366 -0.555896
H -0.992104 -2.189563 1.197454
H -2.135689 -3.340811 0.436563
H -5.944755 -0.791386 -0.703080


