%chk=000161710.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161710

0 1
 O   -7.284700       1.666300      0.2232000    
 O   -7.581400     -0.5016000      4.6700001E-02
 N    4.753900      -1.079300      2.4100000E-02
 N  -0.7687000     -0.3676000      0.6073000    
 N   -1.301100     -0.2034000     -0.5155000    
 N   -6.833300      0.5054000      7.1500003E-02
 N    7.636100       2.825500      4.9400002E-02
 C    5.676300     -4.6799999E-02  0.4527000    
 C    3.362600     -0.8997000      0.1709000    
 C    5.278600      -2.292700     -0.5701000    
 C    5.955300      0.9371000     -0.6787000    
 C    2.838600      0.3819000      0.3403000    
 C    2.510500      -2.003900      0.1467000    
 C   0.6108000     -0.5447000      0.4615000    
 C    1.462800      0.5595000      0.4857000    
 C    1.134600      -1.826400      0.2921000    
 C   -2.687400     -2.5699999E-02 -0.3685000    
 C    6.894900       1.992000     -0.2705000    
 C   -5.432500      0.3258000     -7.6800004E-02
 C   -3.205400       1.254400     -0.1991000    
 C   -3.531600      -1.131500     -0.3931000    
 C   -4.581300       1.430600     -5.2700002E-02
 C   -4.907600     -0.9554000     -0.2470000    
 H    6.622500     -0.5118000      0.7633000    
 H    5.321400      0.4685000       1.355200    
 H    5.195200      -3.135900      0.1237000    
 H    6.340500      -2.185400     -0.8195000    
 H    4.760900      -2.537200      -1.504500    
 H    6.385500      0.3949000      -1.530600    
 H    5.040600       1.400800      -1.059100    
 H    3.449600       1.276000      0.3804000    
 H    2.878500      -3.018700      2.8200001E-02
 H    1.063400       1.561400      0.6208000    
 H   0.4787000      -2.692900      0.2751000    
 H   -2.549100       2.120500     -0.1800000    
 H   -3.130500      -2.132800     -0.5260000    
 H   -4.954600       2.443200      7.7699997E-02
 H   -5.540200      -1.839100     -0.2709000    


%chk=000161710-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161710

0 1
O -7.702384 -0.650347 0.379370
O -7.659117 1.296640 -0.812299
N 4.922250 -0.723154 0.535026
N -0.751666 -0.636740 0.455114
N -1.364381 0.345552 -0.175942
N -7.071375 0.315963 -0.206267
N 7.454712 1.781759 -2.868021
C 5.750961 0.276956 -0.150179
C 3.526626 -0.674003 0.489630
C 5.600388 -1.856706 1.189209
C 5.922280 -0.041220 -1.674604
C 2.830254 0.383627 -0.196512
C 2.739158 -1.682974 1.136477
C 0.659224 -0.579268 0.423739
C 1.435435 0.430674 -0.224209
C 1.340812 -1.629362 1.100318
C -2.789315 0.259686 -0.131725
C 6.764993 0.956801 -2.350307
C -5.594190 0.298112 -0.181003
C -3.528819 -0.782947 0.504981
C -3.480883 1.315161 -0.789802
C -4.930049 -0.765021 0.480765
C -4.884951 1.342247 -0.818377
H 6.746545 0.300523 0.324390
H 5.320837 1.285982 -0.029340
H 5.354078 -1.904414 2.267218
H 6.690505 -1.731703 1.096805
H 5.325333 -2.825362 0.727924
H 6.377951 -1.041673 -1.796330
H 4.930876 -0.073451 -2.163137
H 3.386744 1.175716 -0.706327
H 3.222355 -2.504783 1.669964
H 0.910772 1.238038 -0.744202
H 0.738387 -2.398341 1.595096
H -2.978211 -1.584770 1.004492
H -2.888357 2.100098 -1.269549
H -5.526088 -1.547712 0.957613
H -5.439290 2.141715 -1.316103


