%chk=000031533.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031533

0 1
 O   -1.479100      -2.873400      4.6599999E-02
 O   -2.567700       2.352500     -2.3800001E-02
 N    3.049700     -0.7725000     -1.3400000E-02
 N  -2.5200000E-02   2.966000     -5.0999999E-02
 C    3.475100      -1.649900      -1.110000    
 C    3.688000      -1.001300       1.290900    
 C    4.996700      -1.638300      -1.248000    
 C    5.208800     -0.9825000       1.154300    
 C    5.683300      -1.949500      7.6099999E-02
 C    1.749800     -0.2521000     -1.2800000E-02
 C    1.505700       1.126800     -3.2299999E-02
 C   0.6954000      -1.155900      7.0000002E-03
 C  -0.6176000     -0.6856000      7.4000000E-03
 C  -0.8729000      0.6936000     -1.1600000E-02
 C   0.1849000       1.629100     -3.2000002E-02
 C   -1.718100      -1.671900      2.8100001E-02
 C   -2.289300       1.159500     -9.8999999E-03
 C    2.577200       2.031000     -5.2900001E-02
 C   -3.111500      -1.195500      2.4800001E-02
 C   -3.386300      0.1702000      6.2000002E-03
 C    2.344200       3.395800     -7.2800003E-02
 C   -4.161500      -2.122500      4.0500000E-02
 C   -4.716600      0.6107000      3.1999999E-03
 C    1.032000       3.809100     -7.0600003E-02
 C   -5.483900      -1.679200      3.7300002E-02
 C   -5.761100     -0.3144000      1.8600000E-02
 H    3.035600      -1.317000      -2.058400    
 H    3.127100      -2.673500     -0.9245000    
 H    3.357100      -1.966300       1.694500    
 H    3.392700     -0.2282000       2.011000    
 H    5.321400     -0.6503000      -1.598400    
 H    5.304500      -2.365300      -2.007600    
 H    5.669300      -1.240400       2.114500    
 H    5.540200      3.2400001E-02  0.9008000    
 H    5.460600      -2.980300      0.3771000    
 H    6.770000      -1.873100     -4.0700000E-02
 H   0.8981000      -2.224000      3.0099999E-02
 H    3.612200       1.698100     -5.9700001E-02
 H    3.161300       4.106900     -9.0400003E-02
 H   -3.970900      -3.192200      5.5199999E-02
 H   -4.961800       1.669400     -1.1100000E-02
 H   0.7789000       4.863900     -8.5800000E-02
 H   -6.297500      -2.398500      4.9400002E-02
 H   -6.791000      3.0300001E-02  1.6100001E-02


%chk=000031533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031533

0 1
O -1.490634 -2.875223 -0.600831
O -2.620951 2.178152 1.163314
N 3.097577 -0.808567 -0.021548
N -0.082579 2.986740 0.263921
C 3.370877 -2.145413 -0.603147
C 3.983927 -0.497755 1.139259
C 4.848163 -2.244579 -1.044307
C 5.469845 -0.544863 0.735619
C 5.814021 -1.920159 0.118115
C 1.778581 -0.310529 -0.034689
C 1.535613 1.121457 0.070548
C 0.666278 -1.148983 -0.215441
C -0.662188 -0.656979 -0.114022
C -0.938189 0.700368 0.197938
C 0.180631 1.625366 0.208433
C -1.761637 -1.661732 -0.325388
C -2.330685 1.112585 0.535830
C 2.589075 2.079773 -0.067188
C -3.165389 -1.177357 -0.243645
C -3.437013 0.159497 0.159350
C 2.307036 3.445098 0.007449
C -4.232954 -2.061110 -0.543639
C -4.779569 0.597446 0.257370
C 0.949011 3.847487 0.189529
C -5.565124 -1.612454 -0.459806
C -5.837925 -0.278913 -0.059386
H 2.711201 -2.293579 -1.474807
H 3.144798 -2.951060 0.134957
H 3.800942 -1.256034 1.936816
H 3.711491 0.482341 1.559456
H 5.017765 -1.534361 -1.876556
H 5.036103 -3.263193 -1.433575
H 6.095195 -0.350314 1.627556
H 5.677467 0.258228 0.000951
H 5.727025 -2.703033 0.899596
H 6.861107 -1.935605 -0.236806
H 0.774400 -2.225041 -0.376347
H 3.601924 1.729323 -0.287539
H 3.092125 4.198023 -0.112434
H -3.989713 -3.087443 -0.836260
H -4.963508 1.624489 0.587616
H 0.688055 4.911926 0.237799
H -6.390020 -2.292050 -0.699034
H -6.874354 0.069729 0.006970


