%chk=000049263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049263

0 1
 O   -1.992900     -0.1627000      0.1187000    
 O  -0.2010000      -2.093400     -0.1021000    
 O    1.307600       2.216800      0.9918000    
 O    4.254300      -1.027200     -0.3678000    
 N    2.011200      -1.529800     -0.3291000    
 N    2.764800      0.6231000      0.2180000    
 C   0.3571000      0.2664000     -9.1100000E-02
 C  -0.9060000      0.4945000      0.7520000    
 C   9.3699999E-02  0.7257000      -1.536400    
 C   0.6705000      -1.225400     -0.1466000    
 C    1.493900       1.127200      0.4508000    
 C  -0.7107000     -5.3900000E-02   2.151100    
 C  -0.1961000       2.208800      -1.588400    
 C   -3.202600      5.7999999E-03  0.8466000    
 C    3.090100     -0.6652000     -0.1892000    
 C   -4.321600     -0.7204000      0.1157000    
 C   -4.512400     -0.1904000      -1.294000    
 H   -1.136200       1.562000      0.8464000    
 H  -0.7342000      0.1685000      -1.992100    
 H   0.9682000      0.5219000      -2.168700    
 H   0.2700000      0.1920000       2.570300    
 H   -1.439200      0.3827000       2.844400    
 H  -0.8438000      -1.139600       2.204900    
 H   -1.073400       2.506500      -1.010200    
 H   0.6571000       2.828100      -1.300300    
 H  -0.4181000       2.481800      -2.627500    
 H    2.235400      -2.505000     -0.5064000    
 H    3.544300       1.234800      0.4436000    
 H   -3.439400       1.072000      0.9403000    
 H   -3.137800     -0.4371000       1.844500    
 H   -4.087400      -1.789800      5.4400001E-02
 H   -5.256200     -0.6159000      0.6776000    
 H   -3.622100     -0.3530000      -1.909600    
 H   -5.350100     -0.7023000      -1.778500    
 H   -4.732200      0.8820000      -1.284100    


%chk=000049263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049263

0 1
O -2.008057 -0.295122 0.275211
O 0.212001 -2.349370 0.031066
O 1.176019 2.303255 0.862820
O 4.515833 -0.663125 -0.390417
N 2.317195 -1.452529 -0.248176
N 2.789169 0.823414 0.139434
C 0.382967 0.126445 -0.002145
C -0.847511 0.291734 0.952716
C -0.017623 0.433827 -1.512274
C 0.922662 -1.318527 -0.033857
C 1.448133 1.164065 0.400186
C -0.606203 -0.309935 2.352149
C -0.617658 1.830973 -1.756160
C -3.296736 0.065114 0.887502
C 3.294360 -0.447058 -0.193843
C -4.412141 -0.411855 -0.051105
C -4.429617 0.321235 -1.408286
H -1.005377 1.387227 1.057277
H -0.756194 -0.340998 -1.781288
H 0.878818 0.289734 -2.147601
H 0.320273 0.098963 2.796832
H -1.432933 -0.049779 3.035740
H -0.531782 -1.408544 2.296648
H -1.571001 1.949544 -1.215045
H 0.059807 2.645690 -1.447262
H -0.826880 1.950317 -2.835047
H 2.665929 -2.403923 -0.406207
H 3.490176 1.558023 0.281361
H -3.346029 1.169561 1.035211
H -3.397445 -0.423967 1.879375
H -4.286160 -1.499608 -0.210463
H -5.380364 -0.270821 0.469866
H -3.468788 0.182803 -1.933388
H -5.235903 -0.064876 -2.057957
H -4.594135 1.407614 -1.273873


