%chk=000117500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117500

0 1
 O    1.804100     -0.6084000      0.2987000    
 O   -1.582800     -0.8160000     -0.1725000    
 O    3.212400      -1.184800      -1.428700    
 O   -2.710400      -1.982700       1.460700    
 N    3.392900      -2.171700      0.6402000    
 N   -2.974700      -2.492700     -0.7658000    
 C  -7.7000000E-03   1.055000      0.2084000    
 C  -0.7430000       2.033400     -0.7950000    
 C   0.5854000       1.838200       1.431500    
 C    1.141200      0.3245000     -0.5479000    
 C  -0.9676000     -8.7000001E-03  0.8200000    
 C   -1.916700       2.804500     -0.1698000    
 C   -1.244100       1.388800      -2.096900    
 C    1.621400       2.907800       1.104900    
 C    2.834100      -1.307500     -0.2686000    
 C   -2.444400      -1.779500      0.2808000    
 H  -8.2999999E-03   2.784000      -1.113600    
 H  -0.2226000       2.301800       2.009400    
 H    1.057900       1.125300       2.120700    
 H    1.863700       1.042000     -0.9526000    
 H   0.7360000     -0.2513000      -1.385800    
 H  -0.4181000     -0.6611000       1.511000    
 H   -1.750700      0.4894000       1.404800    
 H   -2.337000       3.513600     -0.8923000    
 H   -2.725100       2.133900      0.1368000    
 H   -1.602800       3.389900      0.6981000    
 H  -0.4502000      0.8853000      -2.652600    
 H   -2.066400      0.6889000      -1.933200    
 H   -1.631600       2.166500      -2.767000    
 H    1.969200       3.374900       2.032800    
 H    2.499500       2.489300      0.6063000    
 H    1.205200       3.702200      0.4805000    
 H    3.043900      -2.237100       1.590400    
 H    4.171800      -2.771300      0.3895000    
 H   -2.723500      -2.285900      -1.726600    
 H   -3.634400      -3.247600     -0.6106000    


%chk=000117500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117500

0 1
O 1.422315 -0.662031 0.341082
O -1.577881 -0.822023 -0.102454
O 3.000189 -1.501447 -1.200613
O -0.788620 -2.528135 1.349260
N 2.219228 -2.750886 0.644703
N -1.782981 -2.990234 -0.719768
C -0.095232 1.214168 0.168211
C -0.756834 2.243961 -0.827209
C 0.592334 1.944531 1.378258
C 0.970087 0.389443 -0.593538
C -1.121126 0.246334 0.826804
C -1.744265 3.214244 -0.127970
C -1.471498 1.596929 -2.043928
C 1.568936 3.088628 1.027464
C 2.291895 -1.645839 -0.171998
C -1.329712 -2.152658 0.275470
H 0.076480 2.858832 -1.228754
H -0.192647 2.335285 2.056028
H 1.142261 1.174279 1.951267
H 1.827271 1.012167 -0.906019
H 0.549147 -0.102504 -1.486461
H -0.669996 -0.248587 1.703401
H -2.033145 0.786930 1.132186
H -2.103674 3.967302 -0.853239
H -2.635693 2.681363 0.253535
H -1.284310 3.757894 0.715347
H -0.787489 0.998550 -2.671497
H -2.294996 0.936371 -1.721156
H -1.897761 2.390086 -2.686269
H 2.048427 3.467747 1.948509
H 2.377719 2.747407 0.356275
H 1.063816 3.943354 0.543054
H 1.447262 -2.820391 1.313072
H 2.837250 -3.535998 0.461492
H -2.205182 -2.608562 -1.562753
H -1.684975 -3.993608 -0.595794


