%chk=000053278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053278

0 1
 O   0.7170000      -1.990700      -1.400800    
 O    3.438100      -2.150000      -1.166000    
 O    4.744200     -0.7806000      0.8495000    
 O   -5.217400      -1.753600      0.1179000    
 O   -4.480300      0.1679000      -1.755800    
 O   0.2153000       4.668300     -0.4923000    
 N   0.2263000       2.342000     -0.5628000    
 C  -0.7520000       2.110100      0.4812000    
 C  -0.1294000       2.237500       1.889500    
 C   0.4891000      0.9874000       2.525300    
 C   -1.540000      0.8348000      0.1694000    
 C    1.269400      0.1399000       1.557200    
 C   0.5968000     -0.5651000      0.5383000    
 C  -0.8864000     -0.4596000      0.4208000    
 C    1.336300      -1.330300     -0.3775000    
 C    2.665000      5.6400001E-02   1.649300    
 C   -2.756000      0.9859000     -0.3884000    
 C   -1.533600      -1.617800      0.6548000    
 C    2.725000      -1.405800     -0.2727000    
 C    3.387600     -0.7151000      0.7394000    
 C   -3.738500     -4.4399999E-02 -0.7988000    
 C   0.6224000       3.606300     -0.9560000    
 C   -2.948900      -1.875600      0.6989000    
 C   -3.929300      -1.248300      4.3499999E-02
 C    1.666300       3.561100      -2.039500    
 C   0.5627000      -1.280400      -2.625800    
 C    3.670900      -3.515500     -0.8295000    
 C    5.499600      0.1990000      0.1398000    
 C   -5.920500      -1.163800       1.191500    
 H   -1.440900       2.965000      0.4150000    
 H  -0.9059000       2.594200       2.579900    
 H   0.6339000       3.027300       1.873400    
 H    1.127600       1.296500       3.362700    
 H  -0.2964000      0.3724000       2.984100    
 H   0.6561000       1.542200      -1.017900    
 H    3.192600      0.5978000       2.431200    
 H   -3.101600       1.992300     -0.6234000    
 H  -0.9558000      -2.513500      0.8896000    
 H   -3.210300      -2.760300       1.278900    
 H    1.327700       2.925800      -2.863000    
 H    2.599500       3.162600      -1.631600    
 H    1.843700       4.569400      -2.423600    
 H    1.537100     -0.9887000      -3.030300    
 H  -6.3800000E-02 -0.3943000      -2.487500    
 H   7.2400004E-02  -1.942500      -3.344800    
 H    4.245000      -3.974500      -1.639100    
 H    4.250100      -3.591100      9.6100003E-02
 H    2.723600      -4.053700     -0.7244000    
 H    6.561300      9.8999999E-03  0.3203000    
 H    5.309400      0.1279000     -0.9358000    
 H    5.256900       1.204300      0.4986000    
 H   -6.933500      -1.577300       1.204200    
 H   -5.451000      -1.396600       2.153800    
 H   -6.002500     -7.8299999E-02   1.066700    


%chk=000053278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053278

0 1
O 0.854759 -1.816286 -1.361261
O 3.660255 -1.960679 -1.105225
O 4.929070 -0.598363 1.140115
O -5.144412 -1.887743 0.340262
O -5.149074 0.931506 -0.115815
O -0.756029 4.146553 -1.415706
N 0.372262 2.397688 -0.362426
C -0.636709 2.237918 0.706424
C -0.018650 2.367992 2.132253
C 0.545420 1.045346 2.722911
C -1.483366 0.951460 0.542695
C 1.364161 0.259361 1.714897
C 0.692989 -0.388006 0.627746
C -0.803557 -0.331560 0.504136
C 1.485946 -1.115465 -0.307057
C 2.768804 0.195142 1.819568
C -2.855546 1.181043 0.422337
C -1.453738 -1.572101 0.385317
C 2.901220 -1.206835 -0.178077
C 3.551867 -0.523580 0.885629
C -4.041275 0.352128 0.201510
C 0.230743 3.350864 -1.363086
C -2.829788 -1.917875 0.343789
C -3.985676 -1.127788 0.335433
C 1.353486 3.381805 -2.397908
C 1.082082 -1.240064 -2.708547
C 3.470073 -3.429358 -0.985817
C 5.856625 -0.321660 0.019125
C -6.473262 -1.334908 0.704753
H -1.305720 3.102763 0.554356
H -0.799278 2.751213 2.816884
H 0.775425 3.136807 2.080885
H 1.154960 1.279911 3.613952
H -0.303375 0.423137 3.065961
H 1.186862 1.783014 -0.362088
H 3.288520 0.691233 2.645346
H -3.157737 2.238260 0.406679
H -0.786555 -2.440758 0.365005
H -3.044173 -2.994588 0.337309
H 2.132895 2.617858 -2.229150
H 1.823621 4.380388 -2.388996
H 0.918181 3.237188 -3.401806
H 2.162072 -1.214341 -2.939729
H 0.645706 -0.224694 -2.763107
H 0.555148 -1.908902 -3.405416
H 4.112568 -3.871734 -1.762341
H 3.791363 -3.772382 0.014856
H 2.412690 -3.692247 -1.163543
H 6.861388 -0.481532 0.438150
H 5.668523 -1.001775 -0.826766
H 5.749452 0.731176 -0.306038
H -7.119230 -2.225752 0.738160
H -6.429537 -0.853087 1.697150
H -6.807549 -0.600890 -0.040191


