%chk=000085576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085576

0 1
 O   -2.750900      0.4173000     -0.2651000    
 N   -5.414600      -2.013800      0.3305000    
 C    2.141200     -8.9500003E-02 -0.2955000    
 C    3.497900      0.3842000      0.2337000    
 C   0.9577000      0.6948000      0.2754000    
 C    4.675700     -0.4469000     -0.2797000    
 C  -0.3694000      0.1664000     -0.2671000    
 C    5.994600      2.3300000E-02  0.3359000    
 C   -1.551300      0.9662000      0.2625000    
 C    7.164500     -0.8228000     -0.1406000    
 C   -3.895100       1.124200      0.1948000    
 C   -5.152200      0.5011000     -0.3956000    
 C   -5.298000     -0.9045000      1.0900000E-02
 H    2.016100      -1.152500     -5.4400001E-02
 H    2.137100     -1.0900000E-02  -1.389800    
 H    3.482600      0.3460000       1.330200    
 H    3.645500       1.435300     -4.3800000E-02
 H   0.9629000      0.6232000       1.369700    
 H    1.066800       1.755500      1.9500000E-02
 H    4.727900     -0.3741000      -1.372600    
 H    4.512000      -1.502900     -3.3000000E-02
 H  -0.4951000     -0.8902000      5.0000002E-04
 H  -0.3727000      0.2004000      -1.363800    
 H    6.175500       1.071600      7.1500003E-02
 H    5.936300     -3.0600000E-02   1.429200    
 H   -1.461900       2.015300     -4.2800002E-02
 H   -1.576400      0.9174000       1.357500    
 H    7.270600     -0.7678000      -1.228700    
 H    7.029300      -1.872400      0.1392000    
 H    8.096800     -0.4685000      0.3101000    
 H   -3.828300       2.172600     -0.1183000    
 H   -3.932700       1.087000       1.290500    
 H   -5.102500      0.5457000      -1.489800    
 H   -6.030700       1.073700     -7.9499997E-02


%chk=000085576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085576

0 1
O -2.799633 0.495534 -0.320809
N -5.566362 -1.993798 0.529189
C 2.158887 -0.125816 -0.236130
C 3.522573 0.339718 0.322024
C 0.964003 0.679716 0.322057
C 4.717977 -0.464891 -0.236361
C -0.392284 0.213994 -0.255451
C 6.083323 0.005125 0.315842
C -1.570957 1.016397 0.300883
C 7.272151 -0.803412 -0.247309
C -4.002279 1.183304 0.134692
C -5.204662 0.444961 -0.485708
C -5.398297 -0.905763 0.070090
H 2.015012 -1.201569 -0.004475
H 2.169131 -0.045172 -1.343095
H 3.512872 0.259763 1.429395
H 3.665728 1.416054 0.089583
H 0.949371 0.589938 1.428478
H 1.114816 1.756712 0.097622
H 4.726751 -0.389262 -1.344033
H 4.579645 -1.540833 -0.000224
H -0.555394 -0.856904 -0.028071
H -0.386935 0.309818 -1.358427
H 6.220736 1.080296 0.079633
H 6.073729 -0.070761 1.422476
H -1.458441 2.099590 0.065590
H -1.637260 0.907865 1.406969
H 7.320959 -0.720053 -1.349601
H 7.175170 -1.876908 0.002669
H 8.235752 -0.447229 0.161461
H -4.006359 2.240763 -0.212147
H -4.068358 1.178403 1.244384
H -5.044343 0.365337 -1.576718
H -6.127822 1.032885 -0.322978


