%chk=000139968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139968

0 1
 O    3.637800      -3.454200     -2.4000000E-02
 O    4.215300       1.665000       1.295800    
 O   -3.779300     -0.4778000      3.6600001E-02
 O   -3.691000       1.821600      9.8099999E-02
 N    2.483200      2.8800000E-02 -0.2068000    
 C    3.104000      -1.146000      0.3721000    
 C    3.318800       1.029500     -0.8399000    
 C    1.084900      0.2024000     -0.1430000    
 C    2.994400      -2.318300     -0.5880000    
 C    3.584600       2.171400      0.1263000    
 C   0.4979000       1.342800     -0.6910000    
 C   0.2890000     -0.7669000      0.4674000    
 C   -1.681100      0.5443000     -1.8800000E-02
 C  -0.8851000       1.513700     -0.6290000    
 C   -1.094000     -0.5960000      0.5295000    
 C   -3.123100      0.7227000      4.4599999E-02
 C   -5.209100     -0.4340000      9.4300002E-02
 C   -5.747100      -1.848900      7.5700000E-02
 H    2.718000      -1.387700       1.369900    
 H    4.171200     -0.9631000      0.5569000    
 H    2.910100       1.384800      -1.792200    
 H    4.281200      0.5724000      -1.106700    
 H    3.492400      -2.089600      -1.536400    
 H    1.961900      -2.592700     -0.8207000    
 H    2.672300       2.685000      0.4397000    
 H    4.247400       2.914300     -0.3288000    
 H    1.058000       2.131500      -1.180500    
 H   0.6832000      -1.671600      0.9166000    
 H   -1.327700       2.406300      -1.063800    
 H   -1.688000      -1.361400       1.022100    
 H    3.175800      -3.670100      0.8040000    
 H    5.063700       1.274100       1.025500    
 H   -5.591000      0.1204000     -0.7700000    
 H   -5.520400      6.9899999E-02   1.016000    
 H   -6.839700      -1.852500      0.1191000    
 H   -5.427200      -2.370700     -0.8323000    
 H   -5.357300      -2.420300      0.9246000    


%chk=000139968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139968

0 1
O 4.100588 -3.425398 -0.119030
O 4.465829 1.652484 1.505999
O -3.945600 -0.500631 0.081265
O -3.826751 1.675444 -0.756556
N 2.482125 0.014558 -0.202579
C 3.127281 -1.184079 0.365204
C 3.370840 1.086725 -0.679745
C 1.089523 0.155835 -0.236081
C 3.299773 -2.323582 -0.670816
C 3.677547 2.172821 0.378321
C 0.468468 1.373120 -0.675487
C 0.222177 -0.914483 0.165848
C -1.775148 0.435363 -0.308901
C -0.926808 1.499398 -0.713159
C -1.171937 -0.772139 0.133299
C -3.239689 0.631249 -0.364255
C -5.430251 -0.382384 0.058887
C -5.985099 -1.692813 0.610165
H 2.555329 -1.543623 1.242180
H 4.123225 -0.903976 0.747221
H 2.932462 1.566541 -1.575487
H 4.323064 0.627681 -1.010295
H 3.880899 -1.963866 -1.536403
H 2.314827 -2.677257 -1.038808
H 2.744082 2.537020 0.835756
H 4.193402 3.028374 -0.110307
H 1.073242 2.232017 -0.978263
H 0.639091 -1.869225 0.497919
H -1.389099 2.433688 -1.049814
H -1.813932 -1.601414 0.444392
H 3.581487 -3.891719 0.583693
H 5.392029 1.474920 1.201237
H -5.752256 -0.191709 -0.981395
H -5.723282 0.490909 0.669961
H -7.090052 -1.659977 0.614630
H -5.665223 -2.548124 -0.009718
H -5.638162 -1.862648 1.644022


