%chk=000029761.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029761

0 1
 O    7.978100      0.8284000       2.045300    
 O    5.202200      -3.863200      -1.216900    
 O   -3.875900     -0.2005000      0.1987000    
 N    5.109100     -0.4177000      9.3099996E-02
 C    4.401000      0.7607000     -0.3927000    
 C    2.892000      0.5711000     -0.2459000    
 C    2.131500       1.807800     -0.7314000    
 C    6.502000     -9.0800002E-02  0.4029000    
 C    5.048600      -1.498300     -0.8929000    
 C   0.6394000       1.621300     -0.6274000    
 C    6.610800      0.5442000       1.780100    
 C    5.286800      -2.845000     -0.2286000    
 C  -2.9200001E-02   1.988000      0.5405000    
 C  -7.2700001E-02   1.081900      -1.698700    
 C   -2.122100       1.275900     -0.4340000    
 C   -1.410000       1.815400      0.6372000    
 C   -1.453500      0.9092000      -1.602000    
 C   -3.598200       1.090400     -0.3299000    
 C   -5.196100     -0.5455000      0.3230000    
 C   -6.191100      0.3533000     -6.1299998E-02
 C   -5.545000      -1.795300      0.8347000    
 C   -7.535100      2.4999999E-03  6.6200003E-02
 C   -6.888900      -2.146300      0.9621000    
 C   -7.884000      -1.247400      0.5778000    
 H    4.664900      0.9838000      -1.435200    
 H    4.669100       1.651300      0.1875000    
 H    2.537500     -0.2990000     -0.8089000    
 H    2.646100      0.3798000      0.8074000    
 H    2.431800       2.689300     -0.1506000    
 H    2.398100       2.030200      -1.772700    
 H    6.948700      0.5610000     -0.3605000    
 H    7.143100     -0.9803000      0.4165000    
 H    5.764200      -1.341400      -1.711900    
 H    4.072700      -1.561500      -1.387200    
 H    6.056300       1.483900       1.852100    
 H    6.245600     -0.1388000       2.554700    
 H    6.273200      -2.919000      0.2368000    
 H    4.525100      -3.043200      0.5334000    
 H   0.5151000       2.406900       1.382700    
 H   0.4376000      0.7900000      -2.612700    
 H   -1.918600       2.102300       1.553800    
 H   -1.996000      0.4848000      -2.442700    
 H   -4.006500       1.873400      0.3231000    
 H   -4.028400       1.203400      -1.334100    
 H    8.020900       1.221400       2.933800    
 H    5.343000      -4.712600     -0.7649000    
 H   -5.995700       1.341500     -0.4628000    
 H   -4.774100      -2.499400       1.135800    
 H   -8.310900      0.7019000     -0.2318000    
 H   -7.160700      -3.119400       1.360500    
 H   -8.930400      -1.520500      0.6773000    


%chk=000029761-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029761

0 1
O 8.051853 1.064654 2.030295
O 5.244794 -4.018624 -0.791037
O -4.022312 -0.221854 -0.059509
N 5.314061 -0.346452 -0.091332
C 4.501018 0.750769 -0.666936
C 2.993600 0.597563 -0.371589
C 2.148138 1.712837 -1.047971
C 6.676266 0.060500 0.326643
C 5.263998 -1.612569 -0.858320
C 0.665108 1.585452 -0.735682
C 6.668977 0.639400 1.748380
C 5.229336 -2.828111 0.077986
C 0.091624 2.253438 0.375514
C -0.176727 0.752866 -1.519019
C -2.108710 1.269467 -0.098616
C -1.274908 2.093501 0.694540
C -1.544226 0.597390 -1.210658
C -3.586825 1.160531 0.213345
C -5.388142 -0.513799 0.098955
C -6.364093 0.416763 0.537040
C -5.759424 -1.847397 -0.208147
C -7.710770 -0.000207 0.660159
C -7.103856 -2.245924 -0.079223
C -8.090152 -1.325086 0.355001
H 4.653757 0.841042 -1.772759
H 4.851511 1.705184 -0.227865
H 2.635212 -0.390268 -0.721863
H 2.838477 0.615391 0.723696
H 2.523109 2.699590 -0.710190
H 2.311403 1.666961 -2.143249
H 7.128872 0.810015 -0.362886
H 7.341760 -0.821470 0.317798
H 6.126164 -1.723109 -1.555518
H 4.349295 -1.630264 -1.477101
H 5.969273 1.500761 1.809130
H 6.327349 -0.140349 2.460072
H 6.112889 -2.818347 0.752078
H 4.311012 -2.786795 0.699008
H 0.721762 2.900023 0.998901
H 0.245282 0.224502 -2.383317
H -1.692511 2.614528 1.565497
H -2.180221 -0.055945 -1.816397
H -3.783105 1.418039 1.274265
H -4.178707 1.850634 -0.426717
H 8.106379 1.421594 2.951560
H 5.195598 -4.834799 -0.233819
H -6.096067 1.447950 0.785059
H -4.983780 -2.544451 -0.540381
H -8.463452 0.720961 0.998815
H -7.383862 -3.278063 -0.318100
H -9.134627 -1.638523 0.453764


