%chk=000016834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016834

0 1
 O   -4.502000      -1.232300      0.8585000    
 N   -2.494700     -0.2698000      0.1207000    
 N  -0.5096000      -1.276200      3.6699999E-02
 N   -1.785100       2.050400      0.2248000    
 N    2.078900      0.3187000      6.9100000E-02
 N   0.6484000       2.233300      0.1918000    
 C   -3.952600     -0.1146000      0.1533000    
 C   -4.550100     -1.9000000E-03  -1.252800    
 C   -6.072300      6.4800002E-02  -1.180300    
 C   -6.617900      -1.075500     -0.3274000    
 C   -5.915900      -1.124400       1.023500    
 C   -1.565700      0.7289000      0.1548000    
 C   -1.814000      -1.454900      5.0600000E-02
 C  -0.3402000      8.4100001E-02  0.1012000    
 C   0.7950000      0.8882000      0.1215000    
 C    3.319900       1.091900      8.6000003E-02
 C  -0.6140000       2.723600      0.2384000    
 C    4.533600      0.2070000     -1.7100001E-02
 C    5.122900     -0.2821000       1.140300    
 C    5.046000     -0.1069000      -1.268000    
 C    6.247500      -1.101700       1.044800    
 C    6.170600     -0.9265000      -1.363500    
 C    6.771300      -1.424100     -0.2071000    
 H   -4.153300      0.7937000      0.7360000    
 H   -4.267700     -0.8812000      -1.846300    
 H   -4.156500      0.8782000      -1.774000    
 H   -6.499600      1.9500000E-02  -2.188100    
 H   -6.374800       1.024400     -0.7437000    
 H   -7.698700     -0.9645000     -0.1909000    
 H   -6.445300      -2.021100     -0.8559000    
 H   -6.145200     -0.2362000       1.623900    
 H   -6.253200      -2.000100       1.586900    
 H   -2.311200      -2.414400      4.9000001E-03
 H    2.131700     -0.6934000      2.0199999E-02
 H    3.373100       1.684100       1.008400    
 H    3.319400       1.810400     -0.7436000    
 H  -0.6937000       3.804100      0.2941000    
 H    4.721600     -3.8699999E-02   2.120000    
 H    4.584400      0.2737000      -2.174800    
 H    6.715100      -1.489600       1.945200    
 H    6.578300      -1.178000      -2.338300    
 H    7.646800      -2.062500     -0.2815000    


%chk=000016834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016834

0 1
O -4.496835 -1.006603 0.975025
N -2.531635 -0.272208 -0.072140
N -0.500570 -1.328781 -0.224802
N -1.749170 2.056831 0.326432
N 2.112296 0.317804 0.058543
N 0.708964 2.204817 0.369561
C -3.975962 -0.062719 -0.029219
C -4.658819 -0.283456 -1.395433
C -6.191407 -0.121394 -1.247796
C -6.729116 -1.057122 -0.138713
C -5.952305 -0.823747 1.170311
C -1.560504 0.721696 0.109009
C -1.838290 -1.478478 -0.262991
C -0.316167 0.048917 0.003035
C 0.856873 0.852843 0.143309
C 3.341811 1.127380 0.203173
C -0.558995 2.717272 0.447177
C 4.574210 0.250165 0.049057
C 5.145836 -0.394372 1.175767
C 5.160753 0.047289 -1.226151
C 6.279716 -1.225764 1.032099
C 6.295037 -0.782876 -1.373922
C 6.857068 -1.421831 -0.244129
H -4.131434 0.983847 0.311472
H -4.418152 -1.302009 -1.756211
H -4.250298 0.440154 -2.124810
H -6.689960 -0.330389 -2.211606
H -6.425682 0.931441 -0.987446
H -7.807540 -0.879206 0.037027
H -6.610283 -2.113326 -0.448051
H -6.141924 0.203556 1.553333
H -6.220409 -1.552260 1.952375
H -2.356739 -2.424976 -0.388589
H 2.191010 -0.688312 -0.103518
H 3.329448 1.626963 1.190535
H 3.330035 1.934975 -0.552945
H -0.622321 3.794515 0.629078
H 4.702316 -0.240131 2.167063
H 4.728322 0.544630 -2.102923
H 6.713245 -1.715230 1.911321
H 6.740527 -0.928112 -2.364405
H 7.738251 -2.063392 -0.356603


