%chk=000053363.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053363

0 1
 O   -1.241000      -1.101700     -0.1447000    
 N    5.107400     -0.3099000      0.6919000    
 N    2.433800      -1.283900     -0.3830000    
 C    4.165800      -1.064900       1.513000    
 C    5.598200      -1.063600     -0.4587000    
 C    2.701400      -1.166800       1.054600    
 C    4.593500      -1.413900      -1.557000    
 C    3.348600      -2.175900      -1.094400    
 C    4.679700       1.045100      0.3786000    
 C    1.037900      -1.666200     -0.6019000    
 C    4.153700       1.716700       1.643100    
 C    5.835700       1.839000     -0.2235000    
 C   9.9900000E-02 -0.7034000      0.1085000    
 C   -2.171000     -0.2381000      0.4946000    
 C   -3.594100     -0.7435000      0.3572000    
 C   -1.997500       1.179100     -1.0600000E-02
 C   -4.508700     -0.4575000       1.353900    
 C   -2.292400       2.236300      0.8317000    
 C   -3.941900      -1.478200     -0.7612000    
 C   -1.548500       1.384100      -1.303100    
 C   -5.817800     -0.9228000       1.227700    
 C   -2.132900       3.541600      0.3662000    
 C   -5.250700      -1.943500     -0.8875000    
 C   -1.389100       2.689300      -1.768500    
 C   -6.188700      -1.665700      0.1070000    
 C   -1.681300       3.768100     -0.9338000    
 H    4.553300      -2.087900       1.624400    
 H    4.184600     -0.6882000       2.544100    
 H    6.025900      -2.005600     -8.6999997E-02
 H    6.462100     -0.5660000     -0.9134000    
 H    2.272900      -2.028400       1.586500    
 H    2.188800     -0.2823000       1.435300    
 H    4.295800     -0.5060000      -2.097200    
 H    5.114600      -2.038000      -2.294900    
 H    3.608400      -3.063300     -0.5043000    
 H    2.867800      -2.549400      -2.008500    
 H    3.862300       1.052700     -0.3520000    
 H   0.8426000      -2.693400     -0.2659000    
 H   0.8030000      -1.644100      -1.674000    
 H    4.886000       1.667100       2.458300    
 H    3.979600       2.782600       1.449100    
 H    3.203100       1.335400       2.013400    
 H    5.571900       2.900100     -0.3025000    
 H    6.737900       1.773800      0.3955000    
 H    6.083200       1.509700      -1.237400    
 H   0.2272000     -0.7621000       1.194500    
 H   0.3390000      0.3142000     -0.2080000    
 H   -1.925100     -0.2635000       1.566800    
 H   -4.231400      0.1153000       2.233500    
 H   -2.639000       2.073500       1.847600    
 H   -3.230200      -1.697300      -1.551400    
 H   -1.343400      0.5652000      -1.986300    
 H   -6.547800     -0.7075000       2.002400    
 H   -2.359400       4.381600       1.016400    
 H   -5.540500      -2.520100      -1.761100    
 H   -1.044200       2.865900      -2.783200    
 H   -7.207900      -2.027700      8.3999997E-03
 H   -1.558400       4.784300      -1.296800    


%chk=000053363-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053363

0 1
O -1.241981 -0.986215 -0.092261
N 5.224507 -0.334608 0.566979
N 2.459182 -1.451390 -0.108829
C 4.458919 -1.199761 1.493471
C 5.605041 -1.052869 -0.675618
C 2.916223 -1.308490 1.295350
C 4.456937 -1.440625 -1.647191
C 3.323166 -2.270623 -0.998391
C 4.696077 1.056857 0.415409
C 1.018785 -1.783195 -0.196086
C 4.666306 1.765126 1.791461
C 5.565305 1.884630 -0.557275
C 0.122504 -0.656869 0.345682
C -2.284322 -0.148987 0.534791
C -3.639572 -0.758863 0.159856
C -2.140283 1.320487 0.133906
C -4.831921 -0.039937 0.429111
C -1.870310 2.310620 1.107778
C -3.728675 -2.051928 -0.409578
C -2.248657 1.702178 -1.227721
C -6.092453 -0.605757 0.138203
C -1.720767 3.667250 0.734781
C -4.991102 -2.614643 -0.707986
C -2.092991 3.052379 -1.604476
C -6.177333 -1.897104 -0.433287
C -1.831533 4.040411 -0.623415
H 4.907775 -2.208794 1.428977
H 4.616183 -0.862449 2.537036
H 6.127314 -1.979945 -0.361417
H 6.353046 -0.450181 -1.220439
H 2.571861 -2.170703 1.928473
H 2.437163 -0.402240 1.715653
H 3.998014 -0.532784 -2.083823
H 4.899632 -2.023782 -2.482987
H 3.753940 -3.159341 -0.474123
H 2.682078 -2.670730 -1.805791
H 3.654672 1.033461 0.010131
H 0.761265 -2.733916 0.337130
H 0.751857 -1.917963 -1.259887
H 5.683937 1.794712 2.222547
H 4.301193 2.801827 1.673672
H 3.999863 1.261027 2.513740
H 5.223796 2.935535 -0.553212
H 6.624883 1.861641 -0.240868
H 5.500070 1.521064 -1.598039
H 0.148706 -0.596623 1.455666
H 0.448879 0.317127 -0.071567
H -2.160334 -0.214215 1.642335
H -4.772992 0.968571 0.855723
H -1.777987 2.020677 2.162700
H -2.805971 -2.599085 -0.619084
H -2.451593 0.933242 -1.981655
H -7.005676 -0.038605 0.351743
H -1.515949 4.426265 1.498211
H -5.047311 -3.614623 -1.153616
H -2.177010 3.339033 -2.658941
H -7.155062 -2.335575 -0.663334
H -1.714592 5.089698 -0.917215


