%chk=000130918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130918

0 1
 O   -2.059400       1.496600     -0.8406000    
 N   -1.894000      2.9100001E-02  0.9589000    
 N    1.762800     -0.6517000      0.6923000    
 N    4.504700     -0.1684000      5.3399999E-02
 N    6.394900       1.235700      0.2289000    
 N    6.593700     -0.9856000     -0.6837000    
 C   -4.017400      0.3380000     -0.1096000    
 C   -5.639300      -1.571500     -0.4125000    
 C   -6.198600      0.3193000       1.160800    
 C   -6.194900      0.7114000      -1.330700    
 C   -4.152800      -1.178600     -0.3485000    
 C   -4.709800      0.7036000       1.218500    
 C   -4.706200       1.094300      -1.263200    
 C   -6.319600      -1.194800      0.9151000    
 C   -6.316100     -0.8049000      -1.562300    
 C   -6.871400       1.075400      2.0999999E-03
 C   -2.561600      0.7020000     -5.0099999E-02
 C  -0.4798000      0.1853000       1.212000    
 C   0.3370000     -0.8204000      0.4142000    
 C    2.549700      -1.667500     -1.8100001E-02
 C    2.209000      0.6904000      0.2991000    
 C    4.038800      -1.537100      0.3101000    
 C    3.687300      0.8997000      0.6367000    
 C    5.875700      3.4000002E-02 -0.1404000    
 C    7.719500       1.396400      2.8800000E-02
 C    7.912100     -0.7568000     -0.8559000    
 C    8.535900      0.4261000     -0.5152000    
 H   -5.730800      -2.650000     -0.5832000    
 H   -6.686300      0.5818000       2.106200    
 H   -6.679500       1.251300      -2.151800    
 H   -3.675300      -1.769900      0.4416000    
 H   -3.652500      -1.461900      -1.284200    
 H   -4.609800       1.779600       1.413900    
 H   -4.252300      0.1961000       2.076000    
 H   -4.612400       2.179500      -1.124500    
 H   -4.224100      0.8607000      -2.222000    
 H   -7.376800      -1.486400      0.8897000    
 H   -5.857000      -1.746600       1.742700    
 H   -5.850900      -1.076100      -2.518000    
 H   -7.373300      -1.089600      -1.630500    
 H   -7.938400      0.8241000     -3.9000001E-02
 H   -6.805400       2.157100      0.1724000    
 H   -2.390300     -0.6121000       1.567500    
 H  -0.3278000      4.5899998E-02   2.288100    
 H  -0.2490000       1.223600      0.9655000    
 H   1.9900000E-02  -1.831700      0.7001000    
 H   0.1246000     -0.7153000     -0.6583000    
 H    2.403900      -1.582000      -1.103400    
 H    2.221000      -2.671400      0.2775000    
 H    1.685200       1.481500      0.8409000    
 H    2.047200      0.8572000     -0.7744000    
 H    4.573000      -2.272100     -0.3032000    
 H    4.220900      -1.791500       1.362100    
 H    3.832500      0.9206000       1.724400    
 H    3.980200       1.880100      0.2412000    
 H    8.119900       2.359300      0.3276000    
 H    8.472100      -1.578000      -1.289900    
 H    9.595800      0.5823000     -0.6646000    


%chk=000130918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130918

0 1
O -1.920966 1.507773 -0.305236
N -1.906538 -0.287039 1.154524
N 1.878271 -0.585597 0.896796
N 4.677533 -0.055781 0.578167
N 6.204689 1.354379 -0.545401
N 6.686135 -1.029677 -0.196558
C -4.042476 0.252847 -0.008328
C -5.756438 -1.464201 -0.810857
C -6.373248 0.160783 1.039011
C -6.088031 0.992044 -1.337413
C -4.249183 -1.203743 -0.540793
C -4.867490 0.423360 1.311987
C -4.583997 1.253879 -1.067587
C -6.556756 -1.287415 0.508848
C -6.275756 -0.454587 -1.869526
C -6.892398 1.168615 -0.021058
C -2.545738 0.549216 0.249639
C -0.491909 -0.103066 1.513035
C 0.464598 -0.904965 0.593615
C 2.823321 -1.691345 0.600642
C 2.339012 0.674806 0.256564
C 4.229765 -1.347074 1.132211
C 3.736267 1.063464 0.776558
C 5.883965 0.093157 -0.070352
C 7.402187 1.475248 -1.173438
C 7.872972 -0.854197 -0.832259
C 8.297084 0.392908 -1.349664
H -5.882247 -2.498886 -1.187211
H -6.938627 0.286625 1.983692
H -6.451010 1.715526 -2.093665
H -3.876477 -1.949192 0.192421
H -3.663422 -1.343729 -1.470899
H -4.722535 1.448427 1.706603
H -4.506777 -0.278345 2.092238
H -4.423247 2.287589 -0.710058
H -3.997842 1.154100 -2.000405
H -7.631079 -1.491247 0.328797
H -6.209035 -2.018500 1.267373
H -5.722169 -0.583105 -2.821134
H -7.346135 -0.648509 -2.082487
H -7.972345 0.999917 -0.205884
H -6.782372 2.205696 0.354614
H -2.425720 -1.060621 1.570591
H -0.331180 -0.404052 2.563273
H -0.272805 0.974394 1.423086
H 0.306519 -1.987692 0.761706
H 0.197158 -0.692816 -0.469005
H 2.892205 -1.899550 -0.497319
H 2.465663 -2.610413 1.100920
H 1.628074 1.486763 0.488217
H 2.378067 0.570098 -0.856922
H 4.965341 -2.116010 0.852390
H 4.184239 -1.270251 2.237794
H 3.667953 1.291968 1.859592
H 4.130131 1.943113 0.245991
H 7.643729 2.478246 -1.545198
H 8.498438 -1.750119 -0.925871
H 9.257130 0.512884 -1.855870


