%chk=000039818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039818

0 1
 O  -0.9702000      1.4100000E-02  0.8297000    
 O   -1.959000     -0.9751000      -1.125300    
 O    1.172200       1.222900     -0.7633000    
 O   0.4632000      0.1881000      -2.699700    
 N    4.811500       1.011400     -0.2042000    
 C   -1.812700      0.2368000     -0.3348000    
 C   -1.119700       1.283900      -1.214900    
 C   -3.183100      0.7546000      9.6100003E-02
 C  -0.6798000      -1.310800      0.7201000    
 C   -1.245200      -1.876200     -0.3975000    
 C    3.425600       1.377100      4.7400001E-02
 C   0.2394000      0.8202000      -1.676600    
 C    2.523500      0.8561000      -1.060000    
 C   -3.312500       1.487900       1.275800    
 C   -4.305800      0.4940000     -0.6897000    
 C    5.050800     -0.3892000      0.1521000    
 C    5.721600       1.884700      0.5410000    
 C   8.8799998E-02  -2.047100       1.597300    
 C   -1.074600      -3.210700     -0.7021000    
 C   -4.564400       1.960400       1.669400    
 C   -5.557700      0.9667000     -0.2961000    
 C   0.2773000      -3.401700       1.313400    
 C  -0.3013000      -3.980400      0.1699000    
 C    6.476800     -0.8020000     -0.1708000    
 C    5.522300       1.734600       2.039600    
 C   -5.687100       1.699800      0.8834000    
 H   -1.000700       2.240400     -0.6896000    
 H   -1.705500       1.495500      -2.118600    
 H    3.303400       2.468800      7.0200004E-02
 H    3.053100       1.015800       1.015000    
 H    2.566000     -0.2349000      -1.138100    
 H    2.811900       1.295300      -2.022900    
 H   -2.452100       1.713800       1.899400    
 H   -4.229900     -6.4999998E-02  -1.618100    
 H    4.802600     -0.6356000       1.190500    
 H    4.410600      -1.032700     -0.4620000    
 H    6.769100       1.715800      0.2702000    
 H    5.533600       2.928500      0.2571000    
 H   0.5342000      -1.596100       2.476600    
 H   -1.521800      -3.652000      -1.585300    
 H   -4.665100       2.533700       2.586300    
 H   -6.431500      0.7663000     -0.9092000    
 H   0.8769000      -4.015100       1.980500    
 H  -0.1437000      -5.035500     -3.5900000E-02
 H    6.562100      -1.893500     -0.1214000    
 H    7.203200     -0.3991000      0.5411000    
 H    6.767000     -0.4998000      -1.183000    
 H    6.160200       2.467000       2.549600    
 H    5.827600      0.7569000       2.422300    
 H    4.501300       1.944700       2.370000    
 H   -6.661600       2.068900       1.189200    


%chk=000039818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039818

0 1
O -1.152564 1.037198 1.183257
O -1.184860 -0.500911 -0.662108
O 1.036715 1.595728 -0.667129
O 0.415085 1.940247 -2.885409
N 4.605874 0.532689 -0.232285
C -1.749046 0.807556 -0.174961
C -1.309310 1.930849 -1.134686
C -3.267214 0.701842 -0.051322
C -0.473421 -0.152685 1.520161
C -0.494535 -1.059494 0.439082
C 3.176320 0.746734 0.099777
C 0.113184 1.818087 -1.676961
C 2.466723 1.430684 -1.077500
C -3.949498 1.399036 0.974062
C -3.999580 -0.051199 -1.001451
C 4.840998 -0.733973 -0.972583
C 5.533625 0.792227 0.897423
C 0.175208 -0.450258 2.720395
C 0.132232 -2.305440 0.503576
C -5.358982 1.339643 1.049880
C -5.407845 -0.109506 -0.920739
C 0.817609 -1.718455 2.806215
C 0.796886 -2.626277 1.721840
C 6.227008 -0.802711 -1.639624
C 5.462984 -0.207538 2.085206
C -6.091632 0.588314 0.102433
H -1.423378 2.888090 -0.592909
H -1.984283 1.953150 -2.005231
H 3.100035 1.403327 0.985382
H 2.641156 -0.196499 0.353531
H 2.505175 0.836289 -2.007267
H 2.893771 2.428320 -1.277488
H -3.374297 1.961999 1.715803
H -3.463976 -0.604365 -1.780124
H 4.694487 -1.631758 -0.320320
H 4.069117 -0.800746 -1.762445
H 6.564998 0.817613 0.500096
H 5.321835 1.813288 1.268324
H 0.187305 0.259714 3.551502
H 0.110439 -2.998442 -0.341608
H -5.883590 1.875031 1.848999
H -5.970694 -0.700206 -1.651921
H 1.331382 -1.993010 3.733406
H 1.294946 -3.596750 1.816393
H 6.300106 -1.707665 -2.270337
H 7.044775 -0.848803 -0.897900
H 6.388344 0.084330 -2.277381
H 6.152197 0.108061 2.890697
H 5.751363 -1.228966 1.776856
H 4.442308 -0.254334 2.508069
H -7.184682 0.542145 0.163422


