%chk=000049979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049979

0 1
 O    1.417300     -0.5167000     -0.2247000    
 O    1.960100       1.668700     -0.6877000    
 O   -2.231300     -0.8713000      -1.657200    
 O  -0.1437000      0.9117000       2.038700    
 N   -1.129300      8.9500003E-02  0.1478000    
 N  -0.9591000      7.4600004E-02   1.636800    
 N   -2.701500      -1.666700      0.4191000    
 C  -0.3680000       1.027900     -0.6364000    
 C  -0.7015000       2.450700     -0.2158000    
 C    1.129200      0.7805000     -0.5263000    
 C    2.807600     -0.8313000     -9.3699999E-02
 C   -2.031000     -0.8167000     -0.4404000    
 C    2.951200      -2.300900      0.2399000    
 H  -0.6226000      0.9060000      -1.695400    
 H   -1.780300       2.589600     -8.3700001E-02
 H  -0.1956000       2.783500      0.6951000    
 H  -0.3806000       3.148400     -0.9994000    
 H    3.321700     -0.6137000      -1.036400    
 H    3.244500     -0.2255000      0.7079000    
 H    4.003900      -2.576600      0.3482000    
 H    2.425800      -2.537400       1.171100    
 H    2.502200      -2.919500     -0.5441000    
 H   -2.576100      -1.666200       1.424700    
 H   -3.364900      -2.343200      5.5399999E-02


%chk=000049979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049979

0 1
O 1.459758 -0.510926 -0.219646
O 2.003504 1.736903 -0.525744
O -2.330696 -0.731324 -1.613039
O -0.060020 0.698902 2.120203
N -1.143691 0.085570 0.248854
N -0.976003 -0.042748 1.623409
N -2.775796 -1.616906 0.510401
C -0.364072 1.030749 -0.589063
C -0.776322 2.498216 -0.358781
C 1.153144 0.828830 -0.413042
C 2.914332 -0.837596 -0.066050
C -2.132241 -0.789299 -0.371376
C 3.004295 -2.342488 0.159450
H -0.616285 0.733607 -1.625808
H -1.843502 2.632657 -0.603339
H -0.592779 2.806925 0.682524
H -0.173859 3.145718 -1.016555
H 3.437616 -0.510444 -0.982568
H 3.305467 -0.253419 0.786033
H 4.062882 -2.638748 0.274739
H 2.459784 -2.637273 1.072676
H 2.579748 -2.896095 -0.695464
H -2.535537 -1.595166 1.502251
H -3.481728 -2.250241 0.143434


