%chk=000041632.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041632

0 1
 O    4.236700     -0.4482000      0.6280000    
 O   -1.796500       2.115800     -0.3017000    
 N  -0.4996000      0.2264000      0.2021000    
 C    4.400200      -1.571700     -0.2364000    
 C    3.183900      0.3772000      0.3785000    
 C   0.8227000      0.7326000      0.1610000    
 C   -2.916700      0.1209000      0.1188000    
 C    1.881700     -0.1215000      0.4171000    
 C   -3.466600     -0.5564000     -0.9697000    
 C    5.740400      -1.464900     -0.9480000    
 C    4.291900      -2.851100      0.5792000    
 C   -1.701100      0.9111000     -2.1600001E-02
 C    3.407000       1.722400      8.4100001E-02
 C    1.026100       2.070100     -0.1325000    
 C   -3.532200      4.8599999E-02   1.368500    
 C    2.328100       2.568700     -0.1712000    
 C   -4.631900      -1.305900     -0.8082000    
 C   -2.828800     -0.4953000      -2.319400    
 C   -4.697500     -0.7008000       1.529800    
 C   -5.247500      -1.378000      0.4415000    
 H    3.622100      -1.592900      -1.011700    
 H    1.699200      -1.165600      0.6554000    
 H  -0.5733000     -0.7638000      0.4274000    
 H    5.903500      -2.311700      -1.621600    
 H    5.790400     -0.5394000      -1.531800    
 H    6.564000      -1.426400     -0.2266000    
 H    4.416300      -3.736500     -5.1700000E-02
 H    3.320200      -2.915100       1.079100    
 H    5.051600      -2.875100       1.368400    
 H    4.419100       2.116300      5.2000001E-02
 H   0.2467000       2.787200     -0.3414000    
 H   -3.113600      0.5720000       2.224400    
 H    2.503400       3.615900     -0.4003000    
 H   -5.073900      -1.839900      -1.645200    
 H   -1.829800     -0.9425000      -2.291800    
 H   -3.410600      -1.041800      -3.069800    
 H   -2.752600      0.5417000      -2.663000    
 H   -5.176700     -0.7570000       2.502800    
 H   -6.154800      -1.961600      0.5674000    


%chk=000041632-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041632

0 1
O 4.538039 -0.328411 -0.140111
O -1.780687 2.037579 -0.555614
N -0.353423 0.195984 -0.233412
C 4.449941 -1.802327 0.056755
C 3.365504 0.440263 -0.208260
C 0.937185 0.798861 -0.279876
C -2.761372 -0.164581 -0.144696
C 2.051903 -0.081438 -0.175510
C -3.931773 -0.072274 -0.961031
C 5.807778 -2.342100 -0.404143
C 4.143964 -2.126499 1.530503
C -1.612793 0.799176 -0.333155
C 3.572359 1.837581 -0.339881
C 1.133988 2.195955 -0.415866
C -2.696699 -1.128546 0.897792
C 2.458446 2.690456 -0.442123
C -4.988775 -0.983564 -0.710806
C -4.067239 0.950421 -2.074039
C -3.766137 -2.017201 1.136263
C -4.917017 -1.946397 0.320966
H 3.651419 -2.199609 -0.604804
H 1.874407 -1.157959 -0.074177
H -0.362954 -0.823408 -0.148655
H 5.838887 -3.441919 -0.302126
H 5.992166 -2.078830 -1.459362
H 6.617883 -1.908602 0.207983
H 4.060361 -3.219846 1.672225
H 3.202054 -1.659966 1.866639
H 4.959518 -1.753222 2.174428
H 4.597538 2.217717 -0.364023
H 0.272509 2.858364 -0.501448
H -1.821649 -1.154208 1.558954
H 2.619162 3.769101 -0.546902
H -5.885806 -0.931424 -1.339045
H -3.201024 0.928867 -2.760059
H -4.982793 0.767102 -2.662042
H -4.100948 1.973572 -1.662267
H -3.706027 -2.744853 1.952634
H -5.756396 -2.630017 0.490194


