%chk=000029822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029822

0 1
 O   -4.368200      0.8200000       1.165600    
 O    3.782900       1.121300      -1.576800    
 N   -2.313100      0.3381000      0.2625000    
 C  -0.4451000     -0.4840000      0.4076000    
 C   -1.275400      0.1293000     -0.7265000    
 C   -1.456400      9.2600003E-02   1.405300    
 C  -0.4873000      -2.000900      0.3779000    
 C    1.023200     -4.0500000E-02  0.5403000    
 C   0.3414000      -2.535400     -0.7903000    
 C   -3.631900      0.6897000      0.1889000    
 C    1.751900      0.3454000     -0.5918000    
 C    1.646100     -1.7800000E-02   1.794500    
 C   -4.139000      0.9078000      -1.211400    
 C   0.2904000      -4.052200     -0.8703000    
 C    3.082200      0.7478000     -0.4715000    
 C    2.976200      0.3844000       1.914800    
 C    3.694100      0.7673000      0.7819000    
 C   -5.610300       1.265600      -1.219100    
 C    5.138500       1.521500      -1.381700    
 H  -0.9295000       1.082500      -1.139600    
 H   -1.580000     -0.5300000      -1.543000    
 H   -1.879700     -0.6048000       2.133800    
 H   -1.173800       1.023400       1.907700    
 H   -1.518800      -2.366100      0.2799000    
 H  -0.1083000      -2.420100       1.319600    
 H    1.398300      -2.273700     -0.6860000    
 H  -1.7000000E-03  -2.122500      -1.744700    
 H    1.296500      0.3284000      -1.578600    
 H    1.101800     -0.3172000       2.686300    
 H   -3.560300       1.713300      -1.676600    
 H   -3.984400     -7.7000000E-03  -1.792700    
 H   0.6756000      -4.507300      4.7899999E-02
 H  -0.7356000      -4.401900      -1.023100    
 H   0.8985000      -4.409900      -1.707300    
 H    3.452200      0.3981000       2.891000    
 H    4.723000       1.068200      0.9472000    
 H   -5.958700       1.416900      -2.245600    
 H   -5.797900       2.187900     -0.6591000    
 H   -6.215000      0.4702000     -0.7703000    
 H    5.749300      0.6987000     -0.9951000    
 H    5.207300       2.418700     -0.7572000    
 H    5.542300       1.784700      -2.364800    


%chk=000029822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029822

0 1
O -4.252782 1.019841 1.242976
O 3.693176 1.278382 -1.593777
N -2.323743 0.289849 0.211626
C -0.411916 -0.657729 0.357388
C -1.305141 -0.068613 -0.809758
C -1.498236 -0.109355 1.376545
C -0.385439 -2.214001 0.351830
C 0.987067 -0.075293 0.522408
C 0.430280 -2.855051 -0.793123
C -3.594571 0.811587 0.174155
C 1.739381 0.371265 -0.583839
C 1.576708 -0.027965 1.816549
C -4.131769 1.111389 -1.236100
C 0.352437 -4.397309 -0.767567
C 3.057215 0.864908 -0.411718
C 2.886556 0.462688 1.982697
C 3.643052 0.916086 0.875882
C -5.560987 1.679803 -1.208040
C 5.054043 1.807984 -1.480486
H -0.877117 0.808860 -1.330082
H -1.648263 -0.806523 -1.559246
H -1.977907 -0.864930 2.024797
H -1.173413 0.747824 1.993289
H -1.434396 -2.574027 0.299937
H 0.019983 -2.561262 1.324399
H 1.486366 -2.533186 -0.721136
H 0.057064 -2.485176 -1.770445
H 1.333374 0.345593 -1.600389
H 1.008192 -0.368902 2.689495
H -3.442174 1.822063 -1.736273
H -4.097638 0.179621 -1.837548
H 0.743900 -4.798077 0.186570
H -0.691801 -4.747296 -0.874208
H 0.944135 -4.842930 -1.587912
H 3.330591 0.500753 2.983885
H 4.656872 1.297645 1.028085
H -5.917120 1.888467 -2.233290
H -5.598844 2.613451 -0.621864
H -6.255532 0.969512 -0.728453
H 5.750047 1.048431 -1.073943
H 5.081958 2.714746 -0.845234
H 5.347692 2.066676 -2.508482


