%chk=000032172.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032172

0 1
 O   -5.400000      0.5595000       2.007000    
 O   -1.199900     -0.5524000      -1.321700    
 O    2.676800      0.5162000     -0.5704000    
 O    4.255400      -1.199600      0.9156000    
 O   0.5494000      0.6008000      -2.275400    
 N   -3.773300     -8.2000002E-02 -0.2388000    
 C   -4.076000       1.310900      0.1181000    
 C   -4.868000     -0.9619000      0.1934000    
 C   -3.540600     -0.2106000      -1.675900    
 C   -4.326400       1.417700       1.619700    
 C   -5.100800     -0.8012000       1.692900    
 C   -2.135500      0.2454000      -2.035100    
 C    2.914900       2.864400     -0.1467000    
 C   0.9845000      -1.167800     -0.7367000    
 C   0.1145000     -0.2677000      -1.535000    
 C    2.351400       1.544900      0.3611000    
 C    2.232900     -0.7412000     -0.2832000    
 C    2.616100       4.011800      0.8139000    
 C    3.034100      -1.602600      0.4664000    
 C   0.5373000      -2.455300     -0.4402000    
 C    3.217600       5.319400      0.3243000    
 C    2.586900      -2.890100      0.7627000    
 C    1.338400      -3.316500      0.3094000    
 C    5.010200      -2.142000       1.674700    
 H   -3.245200       1.976700     -0.1359000    
 H   -4.966700       1.658300     -0.4218000    
 H   -5.789800     -0.7148000     -0.3493000    
 H   -4.621400      -2.009700     -1.3000000E-02
 H   -3.612500      -1.269200      -1.959300    
 H   -4.289900      0.3306000      -2.266300    
 H   -4.610700       2.442800       1.878300    
 H   -3.429100       1.166400       2.198500    
 H   -4.230400      -1.128200       2.274800    
 H   -5.955300      -1.410100       2.004800    
 H   -1.978600       1.305200      -1.807100    
 H   -1.979700      0.1006000      -3.111000    
 H    3.997800       2.762700     -0.2918000    
 H    2.498700       3.080600      -1.138600    
 H    2.784600       1.303400       1.339200    
 H    1.262900       1.618400      0.4709000    
 H    3.020000       3.781800       1.806700    
 H    1.532100       4.131800      0.9245000    
 H  -0.4245000      -2.821100     -0.7898000    
 H    4.306000       5.242200      0.2364000    
 H    2.990100       6.127700       1.026400    
 H    2.812200       5.595400     -0.6544000    
 H    3.154100      -3.613300       1.338400    
 H   0.9907000      -4.320000      0.5372000    
 H    5.951300      -1.654200       1.949500    
 H    5.271500      -3.023500       1.079300    
 H    4.504100      -2.404900       2.609900    


%chk=000032172-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032172

0 1
O -6.615751 -1.173977 1.246932
O -1.414601 0.092770 -0.774395
O 2.624097 0.763853 -0.389404
O 4.257528 -1.089006 0.827975
O -0.033911 1.839600 -0.089935
N -4.393878 -0.298268 -0.405877
C -5.192933 0.670635 0.386153
C -5.229709 -1.462746 -0.793741
C -3.698646 0.319472 -1.556432
C -5.779588 -0.023189 1.626622
C -5.812308 -2.128320 0.463671
C -2.440138 1.093869 -1.164382
C 3.709377 2.923409 -0.507527
C 0.647153 -0.499484 0.260008
C -0.239159 0.607107 -0.210144
C 3.277073 1.811596 0.447683
C 2.056825 -0.325610 0.273488
C 4.407277 4.088399 0.232852
C 2.878785 -1.346525 0.848276
C 0.067716 -1.699012 0.758266
C 4.841731 5.216820 -0.727390
C 2.291740 -2.522280 1.368414
C 0.888108 -2.696331 1.312009
C 5.147566 -2.140016 1.327628
H -4.546896 1.506457 0.713668
H -6.029054 1.101009 -0.223138
H -6.071574 -1.164292 -1.469361
H -4.597893 -2.192338 -1.334656
H -3.401154 -0.483843 -2.255226
H -4.368315 1.015100 -2.125816
H -6.446734 0.655056 2.183808
H -4.952232 -0.361877 2.286691
H -4.983183 -2.521609 1.090726
H -6.501543 -2.947308 0.199381
H -2.602441 1.790372 -0.322294
H -2.052693 1.678522 -2.019756
H 4.392072 2.498075 -1.268671
H 2.814669 3.294557 -1.042111
H 4.139276 1.363553 0.977879
H 2.531094 2.181632 1.178009
H 5.293994 3.703934 0.777625
H 3.721414 4.500478 1.000840
H -1.018290 -1.816133 0.713704
H 5.548105 4.837423 -1.489607
H 5.339002 6.041516 -0.184333
H 3.969046 5.638501 -1.260149
H 2.914970 -3.309353 1.803747
H 0.443572 -3.615165 1.708412
H 6.163819 -1.745624 1.182236
H 5.024107 -3.076939 0.750828
H 4.974710 -2.338767 2.403415


