%chk=000005562.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005562

0 1
 O  -0.6056000      -2.117800       1.726300    
 O    6.075300     -9.2299998E-02  0.7482000    
 O    7.461400       2.190700      0.3065000    
 N   -5.345600       1.651900     -0.1360000    
 N    6.137200       2.044800     -0.1293000    
 C  -2.7000001E-03  -2.111500     -0.6116000    
 C  -0.8680000      -1.723900      0.5899000    
 C   -2.049800     -0.8335000      0.3986000    
 C    1.412800      -1.691100     -0.3036000    
 C  -6.6100001E-02  -3.622900     -0.8371000    
 C   -4.228900      0.8097000      4.5200001E-02
 C   -2.715300     -0.8704000     -0.8055000    
 C   -2.428900     -8.8000000E-03   1.433400    
 C   -3.819600     -3.7400000E-02 -0.9848000    
 C   -3.533400      0.8240000       1.254300    
 C    2.011600     -0.5122000     -0.5783000    
 C    1.342100      0.6183000      -1.315600    
 C   -5.680600       2.153300      -1.454000    
 C   -6.181100       2.015700      0.9912000    
 C    3.400000     -0.3151000     -0.1512000    
 C    4.140900      0.7875000     -0.3420000    
 C    5.544400      0.8410000      0.1555000    
 H  -0.3300000      -1.622300      -1.530300    
 H    1.990000      -2.437700      0.2447000    
 H   0.5723000      -3.923300      -1.675200    
 H   0.2511000      -4.183400      5.0000001E-02
 H   -1.092100      -3.932300      -1.065400    
 H   -2.446600      -1.543500      -1.612200    
 H   -1.891700      1.8900000E-02   2.376400    
 H   -4.351100     -8.6700000E-02  -1.931000    
 H   -3.817900       1.481400       2.071000    
 H    1.866700      0.8311000      -2.253400    
 H    1.332800       1.526100     -0.7020000    
 H   0.3009000      0.4106000      -1.572700    
 H   -6.211700       1.392400      -2.035300    
 H   -4.785700       2.465900      -2.004100    
 H   -6.332000       3.032000      -1.388200    
 H   -5.718200       2.818900       1.573900    
 H   -6.366300       1.157200       1.646800    
 H   -7.161300       2.374100      0.6574000    
 H    3.848900      -1.158900      0.3711000    
 H    3.756000       1.662700     -0.8541000    
 H    5.697000       2.860700     -0.5395000    
 H    7.937000       1.963900     -0.5107000    


%chk=000005562-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005562

0 1
O -1.220513 -3.031086 1.642360
O 5.210056 1.296362 1.130339
O 6.730533 3.043104 -0.083982
N -4.980128 2.016027 0.116975
N 5.648254 2.427824 -0.795203
C -0.044149 -2.505064 -0.434329
C -1.164750 -2.270751 0.625455
C -2.125106 -1.152317 0.445297
C 1.144676 -1.643365 -0.056888
C 0.359082 -4.003558 -0.459167
C -4.050406 0.985655 0.224470
C -2.067528 -0.214114 -0.623784
C -3.169124 -0.990814 1.403209
C -2.997605 0.829083 -0.737516
C -4.108469 0.039834 1.304305
C 1.839399 -0.746416 -0.838563
C 1.510872 -0.447477 -2.291053
C -4.896370 2.974397 -0.994550
C -6.041397 2.164581 1.124699
C 2.969422 -0.045568 -0.224847
C 3.779788 0.877716 -0.836336
C 4.883613 1.510014 -0.098932
H -0.425100 -2.223224 -1.431652
H 1.488750 -1.789593 0.979260
H 1.183145 -4.167392 -1.175632
H 0.681094 -4.329642 0.543331
H -0.501704 -4.630321 -0.754108
H -1.276878 -0.282524 -1.377731
H -3.214199 -1.706159 2.231508
H -2.906053 1.527204 -1.573998
H -4.890338 0.117369 2.064787
H 2.395242 -0.615027 -2.934521
H 1.210273 0.610570 -2.419876
H 0.698969 -1.083143 -2.678897
H -4.990141 2.470050 -1.976937
H -3.938533 3.532316 -0.984166
H -5.714843 3.705761 -0.910428
H -5.624038 2.333186 2.137325
H -6.694466 1.270318 1.166454
H -6.669986 3.031231 0.868177
H 3.194034 -0.274436 0.826978
H 3.629258 1.170620 -1.883263
H 5.584973 2.739190 -1.761738
H 6.618592 2.587383 0.820472


