%chk=000059285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059285

0 1
 O   -2.915400       1.407100      0.3766000    
 N  -0.8199000      0.5862000      0.4332000    
 N   -2.519800     -0.7585000     -0.4688000    
 C    3.133900       2.142000     -0.5248000    
 C    1.789500       1.725000      6.8599999E-02
 C    4.260500       1.306800      7.0000000E-02
 C    1.584400      0.2308000      8.6199999E-02
 C    4.071200     -0.1691000     -0.2752000    
 C    2.665700     -0.6615000     -3.5999998E-02
 C   0.2918000     -0.2769000      0.2870000    
 C    2.426600      -2.043400      8.2000000E-03
 C   6.8999998E-02  -1.652400      0.3392000    
 C    1.135600      -2.535300      0.1972000    
 C   -2.116400      0.3412000      7.5900003E-02
 C   -4.808900     -8.2800001E-02  0.1077000    
 C   -4.317400       1.345600      6.6699997E-02
 C   -3.930500     -0.9047000     -0.8118000    
 H    3.118100       2.013100      -1.614600    
 H    3.308200       3.206100     -0.3297000    
 H    1.007500       2.216100     -0.5223000    
 H    1.720200       2.095200       1.099300    
 H    4.277200       1.436300       1.159700    
 H    5.228700       1.652100     -0.3095000    
 H    4.780000     -0.7618000      0.3154000    
 H    4.310000     -0.3262000      -1.334600    
 H    3.249900      -2.745200     -0.1017000    
 H  -0.8998000      -2.089800      0.5527000    
 H  -0.6030000       1.514600      0.7805000    
 H   0.9661000      -3.606900      0.2485000    
 H   -5.859100     -0.1444000     -0.1940000    
 H   -4.726300     -0.4715000       1.130100    
 H   -4.468800       1.801300     -0.9177000    
 H   -4.849500       1.952600      0.8057000    
 H   -4.206400      -1.961200     -0.7258000    
 H   -4.080300     -0.6160000      -1.858400    


%chk=000059285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059285

0 1
O -2.829672 1.482743 0.044271
N -0.803925 0.497598 -0.136178
N -2.719313 -0.949650 -0.257136
C 3.217162 2.206914 -0.289958
C 1.768541 1.713775 -0.068480
C 4.220583 1.335408 0.491705
C 1.615197 0.192079 -0.126857
C 4.166769 -0.109599 -0.044246
C 2.745474 -0.666969 -0.114747
C 0.303696 -0.389498 -0.170136
C 2.564193 -2.072639 -0.170694
C 0.132703 -1.794596 -0.241637
C 1.270974 -2.626554 -0.242607
C -2.166015 0.220854 -0.132700
C -4.883179 0.160643 0.463512
C -4.295622 1.427450 -0.178397
C -4.192701 -1.075736 -0.159130
H 3.465652 2.154736 -1.368938
H 3.294857 3.269079 0.010019
H 1.120964 2.194401 -0.833223
H 1.410981 2.080927 0.919135
H 3.962415 1.349592 1.569708
H 5.245735 1.740218 0.394056
H 4.789064 -0.779106 0.579967
H 4.616491 -0.128905 -1.059618
H 3.445170 -2.726139 -0.155677
H -0.881363 -2.196206 -0.291864
H -0.603673 1.496273 -0.072768
H 1.140289 -3.713681 -0.291525
H -5.977076 0.125226 0.304873
H -4.697946 0.191451 1.553378
H -4.483914 1.443073 -1.270752
H -4.681858 2.355696 0.271074
H -4.413453 -1.981111 0.435404
H -4.594596 -1.263246 -1.176337


