%chk=000049537.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049537

0 1
 O   -1.238200      -4.241700     -0.1874000    
 N    4.452500      0.8272000      0.1935000    
 N  -0.4188000      0.5527000     -0.6571000    
 C    2.003700      0.6539000     -0.1775000    
 C    1.950800     -0.5940000      0.7107000    
 C    3.391500      0.7987000     -0.8244000    
 C   0.9112000      0.6035000      -1.243800    
 C    3.106000     -0.5903000       1.706200    
 C    4.448300     -0.4008000      0.9997000    
 C   -1.082100     -0.6054000     -0.3386000    
 C   -1.173900       1.656700     -0.3506000    
 C   -2.316300     -0.2359000      0.1965000    
 C   -2.374200       1.194200      0.1891000    
 C    5.759500       1.022200     -0.4344000    
 C  -0.6884000      -1.940700     -0.4818000    
 C  -0.8894000       3.018000     -0.5078000    
 C   -3.203500      -1.251700      0.6101000    
 C   -3.340600       2.139200      0.5933000    
 C   -1.584500      -2.928900     -6.5600000E-02
 C   -1.862300       3.934800     -0.1001000    
 C   -2.824100      -2.591700      0.4728000    
 C   -3.070500       3.504100      0.4425000    
 C   4.3099999E-02  -4.524100     -0.7454000    
 H    1.832600       1.532200      0.4617000    
 H    2.038400      -1.500000      0.1020000    
 H    1.026600     -0.6424000       1.292200    
 H    3.561100     -1.9600000E-02  -1.537500    
 H    3.411100       1.735600      -1.395800    
 H    1.030100     -0.2628000      -1.904400    
 H   0.9593000       1.483400      -1.895200    
 H    2.957900      0.2153000       2.436700    
 H    3.113800      -1.532000       2.267000    
 H    5.231700     -0.3448000       1.765400    
 H    4.663900      -1.278800      0.3765000    
 H    6.544900       1.093300      0.3261000    
 H    5.780500       1.963300     -0.9950000    
 H    6.015600      0.2062000      -1.119900    
 H   0.2630000      -2.160700     -0.9435000    
 H   4.9600001E-02   3.366700     -0.9240000    
 H   -4.173800      -1.004600       1.031800    
 H   -4.287700       1.818900       1.018200    
 H   -1.671400       4.999400     -0.2074000    
 H   -3.510000      -3.372300      0.7924000    
 H   -3.812600       4.234600      0.7532000    
 H   0.8522000      -4.128900     -0.1215000    
 H   0.1141000      -4.185200      -1.784600    
 H   0.1559000      -5.613200     -0.7586000    


%chk=000049537-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049537

0 1
O -1.739189 -4.434761 -0.365312
N 4.538136 1.069005 0.135888
N -0.374053 0.388205 -0.637611
C 2.096706 0.617609 -0.139762
C 2.200625 -0.544037 0.876088
C 3.457331 0.820749 -0.844465
C 0.983231 0.393583 -1.195096
C 3.364483 -0.292443 1.860248
C 4.681663 -0.051280 1.096856
C -1.177130 -0.739400 -0.374693
C -1.099240 1.547275 -0.288160
C -2.440663 -0.298382 0.147077
C -2.393461 1.156131 0.204065
C 5.815098 1.411091 -0.519122
C -0.876686 -2.107785 -0.568929
C -0.715685 2.902097 -0.381454
C -3.421938 -1.263913 0.478721
C -3.310328 2.152748 0.611440
C -1.883881 -3.041385 -0.229918
C -1.650694 3.878749 0.028329
C -3.146106 -2.627845 0.290388
C -2.933351 3.510487 0.521394
C -0.471088 -4.934099 -0.894668
H 1.872312 1.548162 0.419075
H 2.385358 -1.491877 0.324617
H 1.247299 -0.666647 1.421728
H 3.678479 -0.082842 -1.479614
H 3.404678 1.692696 -1.526026
H 1.148871 -0.566496 -1.718785
H 1.038848 1.190967 -1.963604
H 3.141386 0.597938 2.478453
H 3.486029 -1.154068 2.544259
H 5.493520 0.201981 1.804188
H 4.981364 -0.999083 0.571362
H 6.569950 1.663487 0.247026
H 5.678213 2.295297 -1.167524
H 6.227447 0.581214 -1.149066
H 0.093397 -2.428007 -0.957082
H 0.270452 3.198453 -0.754103
H -4.393973 -0.955524 0.878618
H -4.301332 1.877873 0.989828
H -1.380518 4.939085 -0.031931
H -3.879666 -3.401333 0.534519
H -3.634058 4.292370 0.834031
H 0.377937 -4.656449 -0.238668
H -0.285030 -4.557307 -1.920054
H -0.578141 -6.028687 -0.916853


