%chk=000037993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037993

0 1
 O   -4.811500       1.223600      0.4355000    
 O    1.242600      -2.850400     -0.7638000    
 O   -3.794200      0.2562000      -1.350000    
 N   0.9248000     -0.9727000      0.1516000    
 N   0.7854000      -2.281700      0.2348000    
 C    2.239600     -0.4874000      0.6018000    
 C    2.682700      0.7058000     -0.2432000    
 C  -0.1321000     -0.2579000      0.8587000    
 C   -1.389600     -0.1803000     -7.8999996E-03
 C    4.038000       1.239600      0.2222000    
 C   -2.531300      0.5562000      0.6860000    
 C    4.502600       2.405100     -0.6366000    
 C   -3.757000      0.6442000     -0.1892000    
 H    3.005500      -1.267600      0.4775000    
 H    2.238300     -0.2413000       1.672800    
 H    1.943600       1.514000     -0.1881000    
 H    2.750000      0.4059000      -1.296900    
 H   0.1655000      0.7774000       1.072400    
 H  -0.3567000     -0.7129000       1.834100    
 H   -1.732000      -1.189000     -0.2741000    
 H   -1.150400      0.3256000     -0.9529000    
 H    4.788500      0.4418000      0.1786000    
 H    3.970800       1.565600       1.266600    
 H   -2.221200       1.576100      0.9381000    
 H   -2.805700      2.8899999E-02   1.606400    
 H    5.472600       2.771300     -0.2858000    
 H    4.612000       2.102600      -1.682900    
 H    3.789700       3.234600     -0.5911000    
 H   -5.596200       1.284000     -0.1500000    


%chk=000037993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037993

0 1
O -4.564407 1.429607 0.121840
O 2.510930 -2.770038 -0.011071
O -2.599271 2.319172 -0.738305
N 1.015692 -1.280613 0.765519
N 1.272448 -2.551854 0.275742
C 2.094877 -0.287231 0.967053
C 2.502419 0.467437 -0.322959
C -0.389146 -1.020460 1.120358
C -1.046400 0.083768 0.262594
C 3.659642 1.456887 -0.055268
C -2.527657 0.262854 0.646122
C 4.076172 2.231258 -1.324299
C -3.174768 1.434218 -0.069148
H 2.975102 -0.839565 1.349588
H 1.754907 0.423254 1.743026
H 1.631492 1.016770 -0.730391
H 2.812178 -0.271260 -1.085116
H -0.449012 -0.743431 2.193323
H -0.916170 -1.982644 0.987154
H -0.963025 -0.180264 -0.807410
H -0.519136 1.045985 0.394568
H 4.532130 0.899442 0.341251
H 3.358172 2.174863 0.735175
H -2.636567 0.442410 1.735470
H -3.119479 -0.646368 0.430862
H 4.907882 2.928468 -1.115375
H 4.407625 1.537169 -2.118823
H 3.231244 2.822016 -1.725050
H -4.963575 2.215451 -0.341832


