%chk=000047645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047645

0 1
 O    3.992200      -1.836800      0.2337000    
 O    4.548600      0.8728000      0.4872000    
 N   -1.697500      0.2076000     -0.7540000    
 C  -0.7146000     -0.8927000     -0.8040000    
 C   -1.267100       1.483300      -1.327400    
 C   0.6900000     -0.3953000     -0.4712000    
 C  -0.1014000       2.019200     -0.5057000    
 C   0.9800000      0.9791000     -0.3473000    
 C  -0.7579000      -1.560800      -2.183300    
 C   -2.910300      7.0000000E-02 -8.5900001E-02
 C    1.721300      -1.328100     -0.2691000    
 C    2.280400       1.388800     -1.7300000E-02
 C    3.013300     -0.9079000      4.6599999E-02
 C    3.292500      0.4496000      0.1727000    
 C   -3.484300       1.151800      0.6163000    
 C   -3.609300      -1.156400     -8.6800002E-02
 C   -4.699800       1.013400       1.286500    
 C   -4.824800      -1.294600      0.5834000    
 C   -5.370000     -0.2096000       1.270000    
 C    4.169000      -2.334100       1.558500    
 C    4.749700       2.280600      0.5971000    
 H  -0.9596000      -1.640000     -3.7500001E-02
 H   -2.074400       2.222100      -1.383700    
 H  -0.9471000       1.322400      -2.364900    
 H  -0.4434000       2.313800      0.4938000    
 H   0.3006000       2.910400      -1.001500    
 H  -0.1314000      -2.458900      -2.208600    
 H   -1.775300      -1.860300      -2.453600    
 H  -0.3945000     -0.8893000      -2.969400    
 H    1.513400      -2.392700     -0.3541000    
 H    2.436100       2.458500      7.9999998E-02
 H   -2.983800       2.115200      0.6705000    
 H   -3.222400      -2.022200     -0.6173000    
 H   -5.122400       1.856600       1.825200    
 H   -5.348100      -2.246200      0.5694000    
 H   -6.316100     -0.3175000       1.792300    
 H    4.989000      -3.057200       1.546500    
 H    3.261200      -2.840000       1.902400    
 H    4.429100      -1.521400       2.244100    
 H    4.163700       2.709300       1.417200    
 H    4.570900       2.790100     -0.3559000    
 H    5.804600       2.436100      0.8464000    


%chk=000047645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047645

0 1
O 3.885102 -2.083941 0.143995
O 4.691261 0.630984 0.482774
N -1.766210 0.320476 -0.500084
C -0.812994 -0.803765 -0.629188
C -1.281859 1.592317 -1.061022
C 0.624012 -0.352017 -0.321358
C -0.072902 2.102318 -0.252804
C 0.980485 1.008419 -0.145605
C -0.911263 -1.486537 -2.027149
C -3.088471 0.120164 -0.061088
C 1.628746 -1.341014 -0.180840
C 2.329207 1.345439 0.133523
C 2.967090 -1.018095 0.107289
C 3.329999 0.357905 0.251385
C -3.950348 1.220520 0.250696
C -3.624505 -1.196738 0.116547
C -5.266698 1.009951 0.706130
C -4.939942 -1.391001 0.584908
C -5.781756 -0.295576 0.881691
C 4.770273 -2.183965 1.323294
C 5.091676 2.037229 0.562357
H -1.083383 -1.550453 0.141684
H -2.091727 2.335194 -1.076006
H -0.970660 1.437341 -2.116934
H -0.415506 2.400965 0.758035
H 0.354962 3.004110 -0.733728
H -0.227512 -2.350632 -2.098202
H -1.941273 -1.837525 -2.215303
H -0.634927 -0.774914 -2.825752
H 1.391967 -2.405503 -0.287568
H 2.587615 2.404120 0.245299
H -3.588244 2.250032 0.169348
H -3.025128 -2.078843 -0.125801
H -5.891339 1.880656 0.939362
H -5.311776 -2.415607 0.705490
H -6.804404 -0.452810 1.239191
H 5.356116 -3.101342 1.159125
H 4.169774 -2.283186 2.248724
H 5.433314 -1.306688 1.396012
H 4.603444 2.549674 1.414246
H 4.857156 2.573285 -0.377597
H 6.180730 2.017752 0.716223


