%chk=000054793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054793

0 1
 O   0.1223000      0.7796000      0.2740000    
 O   -2.411500     -0.3322000      -1.003800    
 N    4.577800      0.2031000      0.2914000    
 C   0.3685000     -0.3205000     -0.6092000    
 C    1.880200     -0.5478000     -0.6096000    
 C    2.624400      0.6879000      -1.107600    
 C  -0.4659000      -1.495800     -0.1679000    
 C    4.135400      0.4646000      -1.073200    
 C   -1.850100      -1.413500     -0.3669000    
 C   -1.094800       1.400200      0.1858000    
 C   4.6900000E-02  -2.643300      0.4491000    
 C   -2.261100      0.8985000     -0.4043000    
 C   -2.701100      -2.460300     -6.3999998E-03
 C  -0.8026000      -3.686100      0.8306000    
 C    4.227000       1.320200       1.170000    
 C    6.021400     -3.7599999E-02  0.3281000    
 C   -2.173800      -3.596400      0.6000000    
 C   -1.122500       2.671200      0.7784000    
 C   -3.415100       1.695500     -0.4447000    
 C   -2.279700       3.449200      0.7526000    
 C   -3.425600       2.963500      0.1336000    
 H   9.1200002E-02 -4.4199999E-02  -1.637400    
 H    2.204000     -0.7773000      0.4124000    
 H    2.133300      -1.410200      -1.239000    
 H    2.337500      0.8682000      -2.152200    
 H    2.333100       1.596500     -0.5713000    
 H    4.382200     -0.3893000      -1.716900    
 H    4.639700       1.342800      -1.496900    
 H    1.109100      -2.754900      0.6442000    
 H   -3.769400      -2.393000     -0.1917000    
 H  -0.3905000      -4.572000       1.305600    
 H    4.567600       2.285000      0.7766000    
 H    3.152200       1.371200       1.368400    
 H    4.686700       1.185000       2.156800    
 H    6.594700      0.8335000     -9.3999999E-03
 H    6.344300     -0.2920000       1.343700    
 H    6.285000     -0.8914000     -0.3061000    
 H   -2.828800      -4.412100      0.8912000    
 H  -0.2299000       3.070300       1.255700    
 H   -4.320500       1.322900     -0.9185000    
 H   -2.282600       4.434500       1.209300    
 H   -4.327600       3.567600      0.1044000    


%chk=000054793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054793

0 1
O 0.089557 0.756036 0.391923
O -2.534085 -0.356497 -0.808609
N 4.597422 0.303460 0.325798
C 0.332780 -0.378351 -0.574642
C 1.851033 -0.571487 -0.598915
C 2.595152 0.645312 -1.185383
C -0.485379 -1.582599 -0.146769
C 4.128858 0.519933 -1.065458
C -1.896508 -1.502266 -0.261068
C -1.117075 1.464760 0.260095
C 0.069890 -2.782237 0.357070
C -2.330724 0.955577 -0.287910
C -2.733640 -2.588635 0.059199
C -0.754462 -3.876845 0.702548
C 4.278020 1.426419 1.231485
C 6.031024 -0.047987 0.369443
C -2.156384 -3.783046 0.543669
C -1.094624 2.797612 0.739212
C -3.464151 1.792618 -0.384247
C -2.233965 3.622195 0.660248
C -3.424713 3.122404 0.081045
H -0.023288 -0.029257 -1.567635
H 2.224139 -0.759875 0.424383
H 2.084778 -1.472559 -1.200368
H 2.345485 0.762604 -2.259819
H 2.242499 1.563530 -0.681370
H 4.470221 -0.347810 -1.664847
H 4.600485 1.433109 -1.517966
H 1.155000 -2.866642 0.470788
H -3.814844 -2.481090 -0.067946
H -0.305769 -4.798232 1.088484
H 4.729027 2.397860 0.901405
H 3.185593 1.562015 1.307632
H 4.659073 1.199095 2.243094
H 6.701611 0.769985 -0.001147
H 6.325871 -0.283663 1.407873
H 6.214213 -0.944277 -0.250438
H -2.799707 -4.631179 0.801957
H -0.153981 3.163108 1.164052
H -4.372989 1.365039 -0.819071
H -2.188871 4.648771 1.038496
H -4.315172 3.754192 0.002608


