%chk=000055181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055181

0 1
 O    4.177500      0.2886000     -0.6168000    
 O    4.353400      0.4631000       1.710900    
 N   -1.680600      -1.236800      4.9500000E-02
 C  -0.8179000      0.9795000     -0.2200000    
 C  -0.6227000     -0.4100000     -0.1182000    
 C   -2.122800       1.478300     -0.1438000    
 C   0.6959000     -0.9110000     -0.1954000    
 C    1.792800     -2.8100001E-02 -0.3715000    
 C   -3.207700      0.6160000      2.9600000E-02
 C   -2.936400     -0.7559000      0.1229000    
 C   0.2687000       1.845400     -0.3938000    
 C    1.563100       1.345600     -0.4689000    
 C    3.100800     -0.5353000     -0.4470000    
 C   0.9748000      -2.291300     -0.1018000    
 C   -2.366500       2.958800     -0.2486000    
 C   -4.529300       1.089400      0.1098000    
 C   -4.009800      -1.626000      0.2961000    
 C    3.342500      -1.903600     -0.3510000    
 C    2.280300      -2.781200     -0.1786000    
 C   -5.585500      0.2001000      0.2832000    
 C   -5.324600      -1.160900      0.3766000    
 C    4.742200      0.7413000      0.5844000    
 C    5.911600       1.634100      0.2923000    
 H   0.1671000       2.919500     -0.5065000    
 H    2.376200       2.052600     -0.6149000    
 H   0.1712000      -3.013100      3.3700000E-02
 H   -3.253600       3.301600      0.2881000    
 H   -1.579100       3.548200      0.2303000    
 H   -2.451200       3.255100      -1.299000    
 H   -4.800400       2.134800      1.5699999E-02
 H   -3.830500      -2.697000      0.3715000    
 H    4.355800      -2.291300     -0.4110000    
 H    2.463500      -3.849100     -0.1035000    
 H   -6.606200      0.5659000      0.3386000    
 H   -6.141300      -1.864300      0.5103000    
 H    6.670900       1.078300     -0.2632000    
 H    6.349200       1.978400       1.233600    
 H    5.577400       2.504900     -0.2771000    


%chk=000055181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055181

0 1
O 4.096058 0.540134 -0.016023
O 6.030410 -0.800121 0.165027
N -1.741154 -1.222842 0.087180
C -0.948139 1.109364 -0.096237
C -0.724230 -0.323156 0.021465
C -2.284427 1.605347 -0.141827
C 0.648421 -0.845028 0.074433
C 1.752471 0.069469 0.007484
C -3.363211 0.662444 -0.068513
C -3.031604 -0.754965 0.044075
C 0.207385 1.982002 -0.161186
C 1.496345 1.489744 -0.112189
C 3.081671 -0.464963 0.062871
C 0.893204 -2.242122 0.192526
C -2.522820 3.099249 -0.264251
C -4.757429 1.022721 -0.098279
C -4.086085 -1.727795 0.116250
C 3.322231 -1.843217 0.179101
C 2.207548 -2.724712 0.243323
C -5.757301 0.054388 -0.024412
C -5.421592 -1.336208 0.083111
C 5.489712 0.316418 0.039983
C 6.198875 1.648138 -0.075752
H 0.053659 3.061663 -0.250471
H 2.353046 2.166438 -0.162838
H 0.029992 -2.910407 0.241578
H -3.590039 3.357891 -0.305064
H -2.083436 3.642242 0.593504
H -2.050802 3.501794 -1.179895
H -5.048205 2.074365 -0.179777
H -3.789722 -2.777902 0.198595
H 4.341614 -2.226196 0.220169
H 2.393426 -3.800056 0.334632
H -6.810504 0.355373 -0.048649
H -6.219903 -2.084254 0.139210
H 5.916893 2.150261 -1.017245
H 7.286062 1.487541 -0.049943
H 5.900380 2.311556 0.754535


