%chk=000027999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027999

0 1
 O   0.5525000      -1.158400     -0.4435000    
 O    3.715000      5.4800000E-02  0.6076000    
 O   -1.884500      0.2618000     -0.9278000    
 O   -2.468900     -2.9300001E-02   1.303600    
 N   -3.844200     -0.8127000     -0.3926000    
 C    1.928700      -1.476700     -0.1027000    
 C    2.568700     -0.1511000      0.2595000    
 C    1.555500      0.8598000      0.1167000    
 C   0.4171000      0.1974000     -0.2934000    
 C    2.605100      -2.092000      -1.321200    
 C    1.930900      -2.424900       1.089800    
 C  -0.7535000      0.8930000     -0.5242000    
 C    1.603400       2.223400      0.3194000    
 C  -0.7431000       2.278200     -0.3288000    
 C   0.4271000       2.938300      9.0099998E-02
 C   -2.723800     -0.1859000      0.1132000    
 C   -4.886000      -1.375600      0.4345000    
 H    2.584800      -1.400700      -2.171800    
 H    2.081300      -2.999300      -1.641600    
 H    3.651200      -2.343400      -1.117200    
 H    1.430600      -1.970300       1.952900    
 H    2.949500      -2.689400       1.392300    
 H    1.382700      -3.344600      0.8579000    
 H    2.508200       2.724600      0.6419000    
 H   -1.646000       2.859200     -0.5009000    
 H   0.4122000       4.015100      0.2356000    
 H   -3.941200     -0.8826000      -1.400900    
 H   -4.953800      -2.444400      0.2170000    
 H   -5.829700     -0.8926000      0.1700000    
 H   -4.677300      -1.225700       1.496300    


%chk=000027999-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027999

0 1
O 0.345792 -1.001103 -0.351274
O 3.806930 -0.125499 0.434470
O -2.061925 0.677211 -0.724364
O -2.255377 -0.453377 1.365682
N -3.739225 -0.822874 -0.429366
C 1.766898 -1.472179 -0.053409
C 2.570964 -0.157801 0.187504
C 1.606976 0.949322 0.077198
C 0.341912 0.382606 -0.221562
C 2.274937 -2.230203 -1.286281
C 1.705889 -2.325680 1.222472
C -0.796603 1.205550 -0.375869
C 1.772595 2.348410 0.201105
C -0.631173 2.597202 -0.254779
C 0.642126 3.170144 0.024442
C -2.661980 -0.258479 0.201441
C -4.614332 -1.789451 0.239065
H 2.211454 -1.602750 -2.191687
H 1.680039 -3.145330 -1.446903
H 3.331731 -2.507848 -1.127084
H 1.238913 -1.764247 2.049195
H 2.731632 -2.607724 1.518863
H 1.114370 -3.239216 1.042227
H 2.759494 2.763765 0.427408
H -1.513496 3.233480 -0.379390
H 0.729381 4.257634 0.109880
H -3.905444 -0.556727 -1.400087
H -4.597432 -2.767028 -0.276822
H -5.656377 -1.422967 0.281947
H -4.246170 -1.928842 1.267681


