%chk=000051611.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051611

0 1
 O    2.986500       1.697000       2.263600    
 O    5.071800      -2.273300     -0.1488000    
 O   -4.353700      0.2604000      -1.357600    
 O   -4.345000      -1.324800      0.9249000    
 N   0.6527000       2.378000     -0.4954000    
 C   0.4800000      0.9861000     -0.9539000    
 C    1.715300      0.1258000     -0.7250000    
 C    2.614700       1.853300      0.8959000    
 C    2.716400      0.5253000      0.1815000    
 C    1.209500       2.458100      0.8481000    
 C  -0.8208000      0.3653000     -0.4507000    
 C    1.855100      -1.089100      -1.417500    
 C    3.846500     -0.2892000      0.3573000    
 C   -2.006700      0.5974000      -1.139200    
 C  -0.8094000     -0.4267000      0.6926000    
 C    3.970500      -1.494500     -0.3335000    
 C    2.975000      -1.894900      -1.219200    
 C   -3.195300      3.0700000E-02 -0.6790000    
 C   -1.997900     -0.9935000       1.152600    
 C   -3.190700     -0.7649000      0.4668000    
 C   -5.119900       1.397900     -0.9660000    
 C   -4.254800      -2.124400       2.102500    
 H   0.3899000       1.061800      -2.047400    
 H    3.328900       2.540500      0.4244000    
 H   0.5484000       1.980900       1.582100    
 H    1.267200       3.509400       1.155600    
 H  -0.2344000       2.877500     -0.5434000    
 H    1.088900      -1.412300      -2.118100    
 H    4.640900      1.9600000E-02   1.033200    
 H   -2.015200       1.217200      -2.032200    
 H   9.8800004E-02 -0.6116000       1.258200    
 H    3.060600      -2.829900      -1.766300    
 H    2.952900       2.575900       2.678600    
 H   -1.920000      -1.597000       2.050300    
 H    4.993800      -3.066600     -0.7061000    
 H   -6.014300       1.441200      -1.593500    
 H   -4.543900       2.317000      -1.113200    
 H   -5.430100       1.312200      8.0200002E-02
 H   -5.263700      -2.488800       2.322500    
 H   -3.934500      -1.533900       2.967600    
 H   -3.625700      -3.006900       1.943900    


%chk=000051611-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051611

0 1
O 3.419277 1.719393 2.189159
O 5.156485 -2.332872 -0.098503
O -4.299406 0.427093 -1.531587
O -4.486915 -1.093949 0.876772
N 0.795090 2.421969 -0.404127
C 0.571544 1.063751 -0.983539
C 1.800648 0.183857 -0.749453
C 2.807386 1.898868 0.857917
C 2.847978 0.557856 0.137668
C 1.360005 2.421969 0.958555
C -0.734229 0.422138 -0.470400
C 1.897335 -1.053560 -1.428461
C 3.951939 -0.300912 0.338125
C -1.944320 0.673809 -1.164341
C -0.793420 -0.343527 0.718761
C 4.026701 -1.528888 -0.348233
C 2.998219 -1.913059 -1.243583
C -3.186125 0.189146 -0.705165
C -2.026996 -0.837492 1.197379
C -3.229158 -0.589976 0.493820
C -5.518775 0.980814 -0.907808
C -4.532007 -1.973165 2.047627
H 0.455042 1.211600 -2.076190
H 3.393574 2.636872 0.267410
H 0.801599 1.794976 1.691821
H 1.360181 3.462109 1.335818
H -0.048104 3.003254 -0.487236
H 1.089246 -1.354359 -2.105595
H 4.737249 -0.023945 1.045329
H -1.949378 1.251095 -2.097140
H 0.127206 -0.584089 1.260590
H 3.052530 -2.866769 -1.784675
H 3.571059 2.612403 2.590022
H -2.039813 -1.438636 2.111607
H 5.111238 -3.170637 -0.622813
H -6.224533 1.115961 -1.741660
H -5.300516 1.960580 -0.439084
H -5.930129 0.287498 -0.156749
H -5.585891 -2.275229 2.138208
H -4.215739 -1.441314 2.966091
H -3.897773 -2.868431 1.900065


