%chk=000102636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102636

0 1
 O  -0.7772000      -2.178200      -2.112800    
 N   -3.204300       1.696600     -6.5499999E-02
 N   0.5646000      -3.245300     -0.6008000    
 C  -0.7687000      -1.319600      0.1853000    
 C   -1.782600     -0.2755000     -0.3931000    
 C   0.4744000     -0.5947000      0.7298000    
 C   -2.260000      0.7980000      0.5938000    
 C   -1.506800      -2.199000       1.224200    
 C    1.239200      0.2084000     -9.6799999E-02
 C  -0.3420000      -2.271300     -0.9655000    
 C   0.7538000     -0.8032000       2.061800    
 C    2.369600      0.8484000      0.4647000    
 C   0.9394000      0.4102000      -1.454000    
 C    1.865600     -0.1740000       2.613900    
 C    2.669100      0.6468000       1.821900    
 C   -3.645900       2.742800      0.8570000    
 C   -4.353400      0.9487000     -0.5759000    
 C    3.167400       1.670700     -0.3476000    
 C    1.742900       1.230500      -2.246200    
 C    2.854800       1.859500      -1.694100    
 H   -2.646400     -0.8844000     -0.6958000    
 H   -1.501800      0.2185000      -1.320500    
 H   -2.717700      0.3380000       1.476900    
 H   -1.400000       1.383800      0.9370000    
 H   -2.363200      -2.701800      0.7563000    
 H  -0.8793000      -3.001300       1.629900    
 H   -1.902800      -1.623100       2.066900    
 H   0.1751000      -1.422700       2.733700    
 H   0.1702000     -8.3099999E-02  -2.017600    
 H    2.109200     -0.3204000       3.662400    
 H    3.533200       1.128700       2.274800    
 H   0.9408000      -3.322800      0.3382000    
 H   0.9026000      -3.918900      -1.280000    
 H   -2.789900       3.321700       1.221700    
 H   -4.179700       2.333500       1.722500    
 H   -4.307100       3.452600      0.3475000    
 H   -4.102100      0.3704000      -1.470300    
 H   -5.140200       1.638700     -0.9057000    
 H   -4.793500      0.2855000      0.1778000    
 H    4.042000       2.171500      6.2500000E-02
 H    1.513400       1.363900      -3.299700    
 H    3.482700       2.494300      -2.312600    


%chk=000102636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102636

0 1
O -1.195237 -2.614670 -1.947783
N -3.269621 1.666484 0.119279
N 0.765528 -3.036201 -0.794282
C -0.815794 -1.371864 0.181767
C -1.894163 -0.375619 -0.364932
C 0.419899 -0.616967 0.727898
C -2.537112 0.520497 0.714554
C -1.483819 -2.301492 1.246614
C 1.286612 0.159209 -0.150171
C -0.429670 -2.365989 -0.968354
C 0.709317 -0.629891 2.101705
C 2.393696 0.904183 0.426803
C 1.121680 0.222551 -1.578077
C 1.803103 0.098420 2.662590
C 2.629034 0.859204 1.840214
C -3.643919 2.662829 1.142876
C -4.434733 1.253556 -0.690073
C 3.254468 1.677246 -0.422033
C 1.978622 0.979689 -2.379635
C 3.053981 1.721849 -1.801261
H -2.651074 -0.983996 -0.890792
H -1.444859 0.297232 -1.115174
H -3.214044 -0.085919 1.372968
H -1.742042 0.940002 1.360840
H -2.327789 -2.834963 0.775210
H -0.776847 -3.055914 1.635373
H -1.885224 -1.726739 2.098064
H 0.079342 -1.208532 2.782410
H 0.319617 -0.338783 -2.063736
H 1.979504 0.055519 3.742894
H 3.467758 1.429272 2.257224
H 1.418652 -2.772450 -0.057073
H 1.040598 -3.730760 -1.488202
H -2.738347 3.010938 1.671443
H -4.362223 2.268925 1.908764
H -4.113364 3.537165 0.656797
H -4.112234 0.607991 -1.523661
H -4.916289 2.148904 -1.122407
H -5.206499 0.697023 -0.096426
H 4.079464 2.234105 0.038595
H 1.823845 1.004439 -3.463778
H 3.715581 2.315917 -2.441035


