%chk=000047634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047634

0 1
 O   -6.538400      0.6093000      -1.205300    
 O    6.402400     -0.5037000     -0.5298000    
 O    3.915200       2.660800      3.5399999E-02
 O    1.750800       2.417100      0.3093000    
 N   0.6271000      9.8099999E-02  0.2915000    
 N   -2.063100      0.8396000      0.6030000    
 N    2.894800       1.931500      0.1202000    
 N    5.498600      0.5263000     -0.3326000    
 N    5.781000      -1.740800     -0.5366000    
 C  -0.1172000     -0.3410000       1.482900    
 C  -0.1756000      0.4363000     -0.8976000    
 C   -1.250700      0.6393000       1.805700    
 C   -1.305500       1.395600     -0.5190000    
 C    1.928900     -0.3742000      8.2300000E-02
 C   -3.263600      0.1597000      0.4301000    
 C    3.037500      0.5287000     -8.9999998E-04
 C    2.150600      -1.794500     -5.1600002E-02
 C   -4.328500      0.7232000     -0.3115000    
 C   -3.469900      -1.124100      0.9876000    
 C    4.299100     -5.6600001E-02 -0.2137000    
 C    3.402200      -2.400400     -0.2645000    
 C    4.478600      -1.497700     -0.3434000    
 C   -5.532400      4.0800001E-02 -0.4861000    
 C   -4.674000      -1.806400      0.8130000    
 C   -5.705200      -1.223900      7.6200001E-02
 C   -7.742600     -0.1434000      -1.344600    
 H   0.5548000     -0.3896000       2.348500    
 H  -0.5057000      -1.350600       1.313100    
 H  -0.5906000     -0.4866000      -1.322200    
 H   0.4448000      0.9041000      -1.671500    
 H   -1.841500      0.2945000       2.662100    
 H  -0.8206000       1.604900       2.101900    
 H  -0.8943000       2.367800     -0.2227000    
 H   -1.938400       1.580000      -1.394100    
 H    1.285600      -2.457400      8.7000001E-03
 H   -4.217300       1.714000     -0.7484000    
 H   -2.696700      -1.620200       1.566300    
 H    3.516000      -3.472700     -0.3601000    
 H   -4.807700      -2.791600       1.250400    
 H   -6.613400      -1.808900     -2.0199999E-02
 H   -8.225500     -0.3129000     -0.3762000    
 H   -7.572800      -1.076300      -1.892800    
 H   -8.432500      0.4589000      -1.944800    


%chk=000047634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047634

0 1
O -5.989400 0.644957 -1.676178
O 6.210911 -0.154732 -1.519126
O 3.220640 2.697277 -1.284783
O 1.530101 2.441954 0.229800
N 0.544736 -0.242119 0.333368
N -2.076493 0.672670 1.162345
N 2.480001 1.955124 -0.525317
N 5.095555 0.810067 -1.496806
N 5.868243 -1.390862 -0.884482
C -0.205002 -0.966567 1.391492
C -0.327757 0.539769 -0.583416
C -1.162186 0.030050 2.115296
C -1.292059 1.473855 0.197217
C 1.903145 -0.432420 0.137810
C -3.300384 0.056367 0.790036
C 2.782246 0.536242 -0.455994
C 2.451308 -1.740903 0.499089
C -4.087185 0.586564 -0.269243
C -3.811369 -1.081881 1.494648
C 4.110182 0.123528 -0.845046
C 3.744955 -2.129773 0.215008
C 4.588484 -1.203195 -0.478741
C -5.330634 0.009228 -0.610934
C -5.055629 -1.635840 1.142255
C -5.838520 -1.113107 0.088951
C -7.295177 0.117063 -2.077777
H 0.498592 -1.380920 2.130820
H -0.805456 -1.790428 0.952833
H -0.943631 -0.192188 -1.149421
H 0.277977 1.103950 -1.302748
H -1.710724 -0.494428 2.911480
H -0.549078 0.816128 2.593092
H -0.703817 2.227499 0.742479
H -1.943095 2.000043 -0.513371
H 1.776773 -2.473403 0.948808
H -3.783372 1.466763 -0.840208
H -3.253976 -1.537106 2.317067
H 4.113299 -3.127255 0.467188
H -5.424436 -2.504286 1.700058
H -6.798740 -1.568091 -0.165762
H -8.026627 0.177909 -1.248716
H -7.216637 -0.930954 -2.427070
H -7.621460 0.760448 -2.908004


