%chk=000049866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049866

0 1
 O    1.049800      -2.407100      0.1154000    
 O    1.104200       2.379400      0.1093000    
 O   -3.569800     -7.6000001E-03  -1.757300    
 O   -4.571600      5.5599999E-02  0.4336000    
 O    2.359300      -1.354100       1.685000    
 O    2.390200       1.301100       1.681100    
 N    3.494800     -1.1000000E-03  -2.944800    
 C    1.064700     -1.3700000E-02  7.4600004E-02
 C    1.584600     -2.3800001E-02  -1.401500    
 C  -0.4730000      5.7999999E-03  0.2106000    
 C    3.115400      1.5000000E-03  -1.534800    
 C    1.581500      -1.310600      0.7402000    
 C    1.612100       1.273000      0.7360000    
 C   -1.270900     -1.3600000E-02 -0.9359000    
 C   -1.057600      4.2900000E-02   1.488700    
 C   -2.639700      4.9999999E-03 -0.7637000    
 C   -3.211900      4.1299999E-02  0.4872000    
 C   -2.446700      6.0899999E-02   1.635200    
 C   -4.791400      2.4000000E-02 -0.9913000    
 C    1.458600      -3.676000      0.6353000    
 C    1.539700       3.640100      0.6274000    
 C   0.7863000      -4.774600     -0.1602000    
 C   0.8913000       4.751600     -0.1701000    
 H    1.189400      0.8464000      -1.944500    
 H    1.211900     -0.9135000      -1.928100    
 H    3.531900      0.8989000      -1.067500    
 H    3.562400     -0.8703000      -1.046400    
 H  -0.8763000     -4.4199999E-02  -1.943100    
 H  -0.4368000      5.6699999E-02   2.381200    
 H   -2.901300      8.9400001E-02   2.618800    
 H    4.510500     -3.5000000E-02  -3.020700    
 H    3.146700     -0.8483000      -3.392000    
 H   -5.362400      0.9146000      -1.278200    
 H   -5.381900     -0.8665000      -1.235600    
 H    1.166500      -3.750100       1.688700    
 H    2.546800      -3.771200      0.5512000    
 H    2.629800       3.712000      0.5436000    
 H    1.248800       3.722000       1.680500    
 H  -0.3032000      -4.681000     -0.1011000    
 H    1.054300      -4.702200      -1.219400    
 H    1.077100      -5.761100      0.2115000    
 H    1.203000       5.732200      0.2002000    
 H  -0.1999000       4.681400     -0.1114000    
 H    1.158100       4.671800      -1.229000    


%chk=000049866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049866

0 1
O 1.436723 -2.440010 0.054606
O 0.994717 2.354197 0.290129
O -3.816688 0.037298 -1.788026
O -4.742692 0.346382 0.404496
O 1.535995 -1.274675 2.061057
O 2.859520 1.193043 1.046808
N 3.249231 -0.540642 -3.163133
C 0.988739 -0.047774 -0.038156
C 1.453556 -0.184247 -1.524067
C -0.553809 0.069677 0.097354
C 2.981191 -0.271570 -1.735066
C 1.380666 -1.277609 0.820853
C 1.719507 1.193530 0.533500
C -1.407884 -0.006791 -1.039817
C -1.112627 0.242885 1.391540
C -2.780192 0.112215 -0.818108
C -3.325915 0.292845 0.467504
C -2.510539 0.357085 1.600067
C -5.058277 0.385888 -1.049275
C 1.664488 -3.706975 0.819357
C 1.658002 3.634867 0.693016
C 1.680109 -4.840467 -0.199990
C 0.676448 4.755552 0.368897
H 1.073175 0.677553 -2.101190
H 0.994402 -1.101493 -1.935651
H 3.457509 0.690849 -1.477008
H 3.407482 -1.033441 -1.043139
H -1.024247 -0.142558 -2.051907
H -0.444955 0.281772 2.258707
H -2.931265 0.487452 2.600075
H 4.212349 -0.349703 -3.454400
H 2.932963 -1.464786 -3.475393
H -5.364830 1.413655 -1.322259
H -5.830415 -0.367421 -1.268888
H 0.850664 -3.810418 1.559722
H 2.618563 -3.611204 1.368108
H 2.607366 3.722705 0.133591
H 1.898213 3.574717 1.769744
H 0.722761 -4.893798 -0.746013
H 2.493948 -4.703400 -0.932777
H 1.838620 -5.804340 0.317258
H 1.116504 5.730073 0.649165
H -0.266395 4.624892 0.926560
H 0.442620 4.776187 -0.709153


