%chk=000058698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058698

0 1
 O   -4.987600       2.124700      9.3500003E-02
 N    3.648300      0.4128000      0.1689000    
 N   0.2297000      -1.074900     -7.6399997E-02
 C    2.252500      0.2971000     -0.2526000    
 C    4.430900     -0.7287000     -0.3257000    
 C    4.219700       1.687000     -0.2892000    
 C    1.630300     -0.9682000      0.3303000    
 C    5.883000     -0.6485000      0.1475000    
 C    5.665100       1.846100      0.1854000    
 C    6.527600      0.6712000     -0.2611000    
 C  -0.3598000      -2.329300      0.4074000    
 C  -0.5399000      7.6700002E-02  0.4265000    
 C   -1.753100      -2.518800     -0.2013000    
 C   -2.023900     -3.4400001E-02  0.1622000    
 C   -2.611400      -1.285200     -9.4300002E-02
 C   -2.833900       1.106800      0.2355000    
 C   -3.992900      -1.371100     -0.3100000    
 C   -4.209800       1.009700      2.8800000E-02
 C   -4.788300     -0.2275000     -0.2457000    
 C   -6.386600       1.954500     -0.1297000    
 H    2.163300      0.3038000      -1.347200    
 H    1.744300       1.187300      0.1291000    
 H    4.400100     -0.7834000      -1.421800    
 H    4.066000      -1.681300      6.5700002E-02
 H    3.637400       2.524500      0.1139000    
 H    4.182100       1.760800      -1.384100    
 H    1.731100     -0.9827000       1.423800    
 H    2.125500      -1.860100     -6.2799998E-02
 H    6.456500      -1.483500     -0.2711000    
 H    5.921000     -0.7502000       1.239700    
 H    5.686300       1.920000       1.280100    
 H    6.082500       2.780700     -0.2060000    
 H    7.529200      0.7521000      0.1754000    
 H    6.647200      0.6982000      -1.351200    
 H  -0.4210000      -2.333700       1.504200    
 H   0.2561000      -3.188400      0.1140000    
 H  -0.2258000      0.9885000     -9.0899996E-02
 H  -0.3937000      0.2127000       1.506100    
 H   -2.246200      -3.359500      0.3011000    
 H   -1.655700      -2.774300      -1.264200    
 H   -2.390700       2.075400      0.4550000    
 H   -4.454400      -2.330700     -0.5296000    
 H   -5.848800     -0.3733000     -0.4207000    
 H   -6.841700       1.316900      0.6359000    
 H   -6.591600       1.596200      -1.144200    
 H   -6.850600       2.942200     -3.9900001E-02


%chk=000058698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058698

0 1
O -5.150251 2.090916 -0.045049
N 3.779539 0.333020 0.088117
N 0.195345 -0.983293 0.148680
C 2.323801 0.320321 -0.201588
C 4.526375 -0.684034 -0.695912
C 4.387112 1.679659 -0.066360
C 1.597725 -0.791849 0.589213
C 6.000910 -0.760860 -0.249534
C 5.856553 1.681891 0.402848
C 6.678425 0.623280 -0.367530
C -0.404353 -2.235647 0.671094
C -0.654028 0.190041 0.459882
C -1.709845 -2.539145 -0.085470
C -2.133943 -0.037399 0.169216
C -2.648522 -1.341687 -0.070058
C -3.004895 1.072568 0.169407
C -4.035457 -1.490201 -0.300572
C -4.388479 0.906922 -0.066905
C -4.916475 -0.386273 -0.304588
C -6.586703 1.968762 -0.293796
H 2.105702 0.180853 -1.289294
H 1.916571 1.307359 0.087272
H 4.486146 -0.445706 -1.793379
H 4.041088 -1.668038 -0.561582
H 3.797697 2.396979 0.535034
H 4.346653 2.026092 -1.134473
H 1.672667 -0.554582 1.681051
H 2.129149 -1.748261 0.429687
H 6.533399 -1.510775 -0.866115
H 6.036649 -1.102758 0.802958
H 5.882577 1.452862 1.485924
H 6.287359 2.691980 0.260971
H 7.716043 0.582758 0.014732
H 6.738268 0.912375 -1.437695
H -0.609408 -2.171463 1.771533
H 0.320526 -3.056120 0.517784
H -0.301867 1.053241 -0.134301
H -0.547034 0.482048 1.541091
H -2.207740 -3.423739 0.357365
H -1.451552 -2.796913 -1.131618
H -2.627679 2.085540 0.350522
H -4.440341 -2.494079 -0.481110
H -5.983943 -0.542782 -0.486008
H -7.078640 1.338297 0.473071
H -6.789100 1.550686 -1.299656
H -6.977722 2.995353 -0.234559


