%chk=000031549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031549

0 1
 O    1.858300     -0.8753000     -0.5888000    
 O    2.874900      0.9426000       2.303200    
 O    2.647700      -2.253000       1.089100    
 O   -4.641300     -0.9111000      0.6583000    
 N    2.423300       2.011800     -0.8820000    
 C    1.184700       1.457800     -0.3287000    
 C    1.676500      0.1801000      0.3493000    
 C    3.027400      0.5852000      0.9347000    
 C    3.446700       1.828100      0.1490000    
 C   0.1401000       1.251900      -1.413400    
 C   -1.137000      0.6747000     -0.8605000    
 C   -1.293800     -0.7025000     -0.8029000    
 C   -2.136000       1.528800     -0.4168000    
 C    2.353800      -2.043000     -7.9899997E-02
 C   -2.475800      -1.237200     -0.2902000    
 C   -3.318000      0.9940000      9.5799997E-02
 C   -3.487900     -0.3889000      0.1590000    
 C    2.490900      -3.057000      -1.175000    
 C   -5.634600      1.3000000E-02   1.100000    
 H   0.8022000       2.150300      0.4343000    
 H   0.9672000     -0.1419000       1.122100    
 H    3.815300     -0.1686000      0.8679000    
 H    3.514900       2.716300      0.7875000    
 H    4.418200       1.680900     -0.3334000    
 H    2.313200       2.997000      -1.115000    
 H   0.5162000      0.6066000      -2.218800    
 H  -8.2800001E-02   2.210600      -1.902000    
 H    2.180600       1.620300       2.367300    
 H  -0.5325000      -1.380000      -1.173100    
 H   -2.011400       2.607200     -0.4600000    
 H   -2.604900      -2.315300     -0.2493000    
 H   -4.062300       1.709700      0.4276000    
 H    3.179400      -2.686200      -1.938600    
 H    1.510600      -3.267500      -1.609500    
 H    2.896200      -3.985000     -0.7616000    
 H   -6.483100     -0.5747000       1.465700    
 H   -6.005400      0.6302000      0.2747000    
 H   -5.277200      0.6162000       1.941400    


%chk=000031549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031549

0 1
O 2.037941 -0.779740 -0.516616
O 2.946604 1.516372 2.315639
O 2.155191 -2.413451 1.150994
O -4.761306 -1.027073 0.538234
N 2.423143 2.234245 -0.622158
C 1.206869 1.519878 -0.183004
C 1.788285 0.265648 0.520384
C 3.155536 0.760371 1.072186
C 3.669470 1.659611 -0.076725
C 0.207904 1.240694 -1.344333
C -1.118411 0.669275 -0.865506
C -1.374093 -0.728952 -0.888507
C -2.132060 1.514457 -0.352132
C 2.205105 -2.095928 -0.056633
C -2.588374 -1.261384 -0.418978
C -3.359820 1.001853 0.127636
C -3.586328 -0.396019 0.094980
C 2.443142 -3.028142 -1.225523
C -5.817045 -0.175506 1.088381
H 0.640436 2.086161 0.597742
H 1.147002 -0.149531 1.312892
H 3.825897 -0.065416 1.350049
H 4.363031 2.430148 0.310697
H 4.214373 1.048264 -0.825940
H 2.373323 3.208973 -0.907884
H 0.703395 0.567975 -2.063761
H 0.038090 2.206838 -1.858795
H 2.508950 2.376733 2.084925
H -0.608484 -1.405856 -1.285049
H -1.969779 2.600115 -0.336906
H -2.787346 -2.337313 -0.437801
H -4.119737 1.689857 0.510490
H 3.336978 -2.711148 -1.790151
H 1.587982 -2.994543 -1.923300
H 2.579686 -4.054965 -0.857308
H -6.621554 -0.866773 1.379582
H -6.195885 0.538997 0.331148
H -5.463812 0.381370 1.978451


