%chk=000094677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094677

0 1
 O   -3.325600       2.484400      0.6013000    
 O   -1.301100       1.948800     -7.1300000E-02
 N    1.639500     -0.7145000      5.2000000E-03
 N    4.299600      0.4074000      0.1608000    
 N   -2.088500     -0.7040000     -0.4009000    
 N   -4.047000      -1.658200     -5.1700000E-02
 N   -2.494200       1.623700      0.1929000    
 C    1.932200      0.6274000     -0.5134000    
 C    2.541000      -1.041800       1.116600    
 C    3.397300      0.7363000     -0.9496000    
 C    4.006200     -0.9342000      0.6799000    
 C   0.2427000     -0.8165000      0.4225000    
 C  -0.6809000     -0.5854000     -0.7700000    
 C    5.696300      0.5079000     -0.2580000    
 C   -2.899300      0.2945000      3.2000002E-02
 C   -2.806500      -1.856300     -0.4392000    
 C   -4.111600     -0.3194000      0.2429000    
 H    1.711200       1.397600      0.2380000    
 H    1.349100      0.8597000      -1.407900    
 H    2.357600      -2.069400       1.453300    
 H    2.362000     -0.3797000       1.974700    
 H    3.577300      7.5900003E-02  -1.808900    
 H    3.582800       1.764500      -1.283800    
 H    4.641200      -1.141900       1.549700    
 H    4.223700      -1.702500     -7.4500002E-02
 H   1.7400000E-02 -0.1073000       1.229600    
 H   5.1500000E-02  -1.819800      0.8256000    
 H  -0.5028000      -1.385200      -1.504200    
 H  -0.5555000      0.3299000      -1.344900    
 H    5.922200       1.523300     -0.6021000    
 H    5.938800     -0.1919000      -1.065900    
 H    6.365800      0.3059000      0.5854000    
 H   -2.389000      -2.804400     -0.7502000    
 H   -5.031200      0.1286000      0.5918000    


%chk=000094677-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094677

0 1
O -3.618687 2.464276 0.172255
O -1.464821 1.993031 -0.453509
N 1.634953 -0.503862 0.103174
N 4.410670 0.313893 0.135313
N -2.113335 -0.813362 -0.411262
N -4.141777 -1.731667 0.112991
N -2.674215 1.632224 -0.127518
C 2.030043 0.890133 -0.236055
C 2.596274 -1.092240 1.070903
C 3.449890 0.909147 -0.823003
C 4.016125 -1.071109 0.479641
C 0.222162 -0.621611 0.512481
C -0.667880 -0.775226 -0.746573
C 5.806879 0.406800 -0.329968
C -2.996971 0.237590 -0.092715
C -2.857080 -1.970804 -0.265543
C -4.236518 -0.353860 0.221887
H 2.002670 1.543043 0.670294
H 1.317981 1.307085 -0.970148
H 2.300792 -2.137713 1.278433
H 2.604754 -0.530247 2.037369
H 3.445436 0.357511 -1.798538
H 3.749719 1.954994 -1.022186
H 4.729569 -1.469142 1.225740
H 4.041180 -1.743350 -0.417155
H -0.126101 0.256862 1.104602
H 0.102632 -1.519502 1.147718
H -0.420094 -1.720950 -1.257600
H -0.486494 0.058792 -1.439290
H 6.069969 1.465290 -0.506502
H 5.999051 -0.159513 -1.277066
H 6.485698 0.012008 0.447457
H -2.435723 -2.957132 -0.447753
H -5.154552 0.152011 0.507826


