%chk=000057947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057947

0 1
 O    1.628900     -0.2242000      0.5193000    
 N   -4.386200      0.2804000      -1.455900    
 C    2.401500      0.2575000     -0.5733000    
 C    3.385600     -0.8171000      -1.009300    
 C    3.309900       1.390900     -0.1210000    
 C    4.529500     -0.7213000     -8.9999998E-04
 C    4.461500      0.6865000      0.5917000    
 C   0.2677000     -0.2189000      0.3625000    
 C   -2.494600     -0.2092000      4.5100000E-02
 C  -0.4384000      -1.413900      0.4416000    
 C  -0.3936000      0.9811000      0.1263000    
 C   -3.976000     -0.2039000     -0.1249000    
 C   -1.824200      -1.409000      0.2823000    
 C   -1.779500      0.9859000     -3.2900002E-02
 C   -4.691900      0.6351000      0.9495000    
 H    1.773500      0.5629000      -1.419200    
 H    3.767300     -0.5936000      -2.012700    
 H    2.948700      -1.820400      -1.018500    
 H    2.810000       2.102000      0.5435000    
 H    3.696200       1.935300     -0.9907000    
 H    5.495100     -0.9142000     -0.4796000    
 H    4.403900      -1.465800      0.7938000    
 H    4.262600      0.6257000       1.668100    
 H    5.403000       1.229800      0.4633000    
 H   -4.356600      -1.229300     -3.1500001E-02
 H   8.0399998E-02  -2.350400      0.6258000    
 H   0.1507000       1.919600      7.1599998E-02
 H   -2.366000      -2.348800      0.3460000    
 H   -2.282100       1.931300     -0.2188000    
 H   -4.415300      0.2947000       1.953800    
 H   -5.779800      0.5417000      0.8545000    
 H   -4.442100       1.699700      0.8783000    
 H   -5.402500      0.2513000      -1.530100    
 H   -4.031400     -0.3550000      -2.170200    


%chk=000057947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057947

0 1
O 1.676732 -0.910699 -0.392995
N -4.597119 0.622287 -1.071922
C 2.587355 0.097620 -0.997775
C 3.953374 -0.596415 -1.129769
C 2.859115 1.261710 -0.017476
C 4.602563 -0.498441 0.283974
C 3.860724 0.672478 1.017936
C 0.302886 -0.625547 -0.317117
C -2.518665 -0.287453 -0.087336
C -0.486515 -1.619977 0.313400
C -0.319928 0.538423 -0.837780
C -4.025210 -0.085031 0.095148
C -1.879781 -1.447800 0.420788
C -1.719086 0.694277 -0.717832
C -4.323020 0.749285 1.367249
H 2.169869 0.419283 -1.972240
H 4.554599 -0.045952 -1.878166
H 3.839451 -1.634967 -1.483525
H 1.937537 1.648777 0.449535
H 3.323141 2.093118 -0.583842
H 5.690070 -0.317985 0.213318
H 4.461881 -1.443970 0.835137
H 3.311463 0.282640 1.892445
H 4.560318 1.443837 1.385864
H -4.478915 -1.095830 0.250320
H 0.010584 -2.515968 0.698317
H 0.266239 1.319360 -1.331285
H -2.480710 -2.228986 0.904159
H -2.215342 1.582352 -1.124127
H -3.891030 0.265702 2.260570
H -5.414174 0.856731 1.524968
H -3.882240 1.756481 1.264752
H -5.567000 0.925933 -0.941842
H -4.453367 0.141128 -1.965351


