%chk=000004246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004246

0 1
 O   0.5136000      -1.565500      0.2792000    
 O  -8.4399998E-02   1.528100      0.1428000    
 O   -3.344100     -0.3383000      -1.191700    
 O   -3.463800       1.915800      0.5123000    
 O  -0.5591000      -1.049000      -1.700300    
 O   -1.653300       2.078000      -1.441100    
 N    3.757900     -0.2323000      0.8043000    
 C    2.316800      2.9100001E-02  0.5290000    
 C    1.795500      -1.186700     -0.2403000    
 C    2.832900      -2.253200      6.8899997E-02
 C    4.120100      -1.447800      6.1700001E-02
 C    2.258200       1.325200     -0.2191000    
 C    4.491200      0.9691000      0.3533000    
 C    3.481400       1.856500     -0.2988000    
 C   -2.884400     -0.4277000      0.1679000    
 C   -1.847100      -1.597300      0.2859000    
 C   -2.364600      0.9896000      0.6208000    
 C   0.9861000       1.895200     -0.7462000    
 C  -0.5764000      -1.362100     -0.5169000    
 C   -4.155400     -0.8006000      0.9689000    
 C   -1.351900       1.606100     -0.3502000    
 C   -2.381300      -2.963100     -0.1684000    
 C   -1.887900       1.031000       2.078000    
 H    1.799600      0.1421000       1.490600    
 H    1.772700      -1.010300      -1.323700    
 H    2.833100      -3.051300     -0.6799000    
 H    2.649900      -2.715700       1.047000    
 H    4.940700      -1.983000      0.5483000    
 H    4.407000      -1.232500     -0.9757000    
 H    5.310200      0.7369000     -0.3363000    
 H    4.918600       1.477900       1.224000    
 H    3.720200       2.797400     -0.7727000    
 H   -1.567900      -1.694300       1.343100    
 H    1.034900       2.987800     -0.8013000    
 H   0.7965000       1.487100      -1.745400    
 H   -4.901600      1.1000000E-03  0.9433000    
 H   -4.669500      -1.669000      0.5425000    
 H   -3.925300      -1.021900       2.015600    
 H   -1.593700      -3.723000     -9.6900001E-02
 H   -3.207700      -3.306800      0.4596000    
 H   -2.713200      -2.951600      -1.211400    
 H   -1.558900       2.042600       2.345600    
 H   -2.698900      0.7881000       2.772000    
 H   -1.051100      0.3513000       2.263100    
 H   -3.827300      -1.149600      -1.418900    
 H   -3.849200       1.819000     -0.3758000    


%chk=000004246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004246

0 1
O 0.533598 -1.663872 0.270129
O -0.130167 1.437479 0.235718
O -3.374017 -0.360044 -1.219930
O -3.686161 1.873252 0.511083
O -0.582494 -0.865860 -1.620762
O -1.680060 2.174720 -1.329224
N 3.848137 -0.215903 0.659463
C 2.370052 -0.007943 0.481029
C 1.862454 -1.271946 -0.279013
C 2.914409 -2.341324 0.061182
C 4.232531 -1.529747 0.066885
C 2.252960 1.335822 -0.227773
C 4.574778 0.995996 0.179816
C 3.479840 1.899632 -0.371294
C -2.959211 -0.473135 0.190898
C -1.862492 -1.586763 0.368807
C -2.520249 1.000179 0.678796
C 0.943231 1.872623 -0.723784
C -0.604389 -1.311126 -0.439979
C -4.237235 -0.881824 0.950795
C -1.428137 1.596295 -0.248204
C -2.387076 -2.991498 -0.056406
C -2.137573 1.073382 2.162178
H 1.835583 0.022273 1.452205
H 1.758769 -1.101247 -1.365009
H 2.931203 -3.177511 -0.656790
H 2.703439 -2.742323 1.068355
H 5.017490 -2.030557 0.661854
H 4.621319 -1.415076 -0.974314
H 5.324860 0.732875 -0.599930
H 5.129163 1.493001 1.002617
H 3.689100 2.876949 -0.817106
H -1.571701 -1.629647 1.432742
H 0.929198 2.973442 -0.797741
H 0.668656 1.453620 -1.711178
H -4.902849 -0.010583 1.051946
H -4.763303 -1.658395 0.374004
H -4.008017 -1.276534 1.956017
H -1.567041 -3.730799 -0.033551
H -3.172709 -3.335530 0.635203
H -2.807642 -2.952348 -1.075482
H -1.967796 2.125811 2.443400
H -2.964100 0.686950 2.780012
H -1.217118 0.507596 2.375191
H -2.553546 -0.298898 -1.787922
H -3.916585 1.850936 -0.458232


