%chk=000052439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052439

0 1
 O    3.738400      -2.309600      0.1109000    
 O  -0.7979000      -1.202800     -1.4400000E-02
 O    2.247800       2.448300      0.1931000    
 O   -3.993400       1.309800      6.0199998E-02
 N    1.775000     -0.2992000      6.1099999E-02
 C    2.284400     -0.8085000       1.341900    
 C    1.933900      -1.207700      -1.079600    
 C   0.7107000      0.6079000      8.7200001E-02
 C    3.701500      -1.339200       1.157200    
 C    3.369400      -1.719100      -1.134800    
 C  -0.6071000      0.1504000      4.7300000E-02
 C   -1.659600       1.057800      7.2999999E-02
 C   0.9691000       1.977200      0.1523000    
 C   -1.405900       2.430700      0.1385000    
 C  -8.7800004E-02   2.887100      0.1777000    
 C   -3.036200      0.5465000      2.9600000E-02
 C   -3.202500     -0.9337000     -4.9400002E-02
 C   -2.092700      -1.700400     -6.1200000E-02
 C   -4.618800      -1.422600     -0.1325000    
 C   -2.102700      -3.201300     -0.1015000    
 C    2.874500       2.728400      -1.056500    
 H    1.626700      -1.615000       1.688300    
 H    2.290000     -2.1800000E-02   2.105400    
 H    1.691700     -0.7004000      -2.020600    
 H    1.265000      -2.068100     -0.9683000    
 H    4.404300     -0.5290000      0.9278000    
 H    4.041900      -1.823300       2.077900    
 H    3.464000      -2.484100      -1.911900    
 H    4.071000     -0.9116000      -1.377100    
 H   -2.215500       3.154700      0.1594000    
 H   0.1078000       3.954900      0.2294000    
 H   -5.120500      -1.292200      0.8318000    
 H   -4.695200      -2.474900     -0.4163000    
 H   -5.175100     -0.8590000     -0.8897000    
 H   -1.302900      -3.600400      0.5327000    
 H   -1.930400      -3.550800      -1.124200    
 H   -3.034900      -3.635800      0.2678000    
 H    3.891900       3.076800     -0.8585000    
 H    2.332400       3.516800      -1.588300    
 H    2.928700       1.827600      -1.675600    


%chk=000052439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052439

0 1
O 4.082341 -2.100683 0.100291
O -0.923872 -1.231686 -0.105506
O 2.222491 2.474479 0.421811
O -4.150689 1.395968 -0.039099
N 1.798317 -0.333990 0.076837
C 2.694227 -0.392526 1.264032
C 1.780061 -1.598165 -0.693704
C 0.694561 0.553693 0.112209
C 4.107243 -0.827246 0.841444
C 3.222883 -1.966180 -1.087098
C -0.676200 0.151605 0.009384
C -1.758914 1.067094 0.059103
C 0.910465 1.958577 0.286485
C -1.485732 2.443680 0.262723
C -0.159763 2.879215 0.387290
C -3.160428 0.587791 -0.060626
C -3.341806 -0.874436 -0.197538
C -2.243214 -1.707809 -0.204621
C -4.757702 -1.402196 -0.311521
C -2.243147 -3.206515 -0.317456
C 3.004368 2.488686 -0.835606
H 2.291710 -1.121299 2.003189
H 2.740111 0.603963 1.732232
H 1.167595 -1.467625 -1.602245
H 1.341858 -2.430343 -0.103365
H 4.572503 -0.040105 0.209529
H 4.742016 -1.013310 1.723263
H 3.253803 -2.949397 -1.586006
H 3.640960 -1.190439 -1.766583
H -2.335244 3.130545 0.314332
H 0.087890 3.933655 0.542441
H -5.021049 -2.070383 0.529262
H -4.920018 -1.959646 -1.252165
H -5.446503 -0.541530 -0.294732
H -1.681391 -3.657759 0.520499
H -1.751511 -3.529180 -1.254120
H -3.269541 -3.601403 -0.308206
H 4.004723 2.854978 -0.558440
H 2.537338 3.181327 -1.561158
H 3.070258 1.472992 -1.266461


