%chk=000045899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045899

0 1
 O    4.775100     -0.6000000      0.5718000    
 N   -1.583400      0.4776000      0.4208000    
 N   -1.304300      -1.230200       2.100400    
 C   -3.019700      0.6433000      0.6744000    
 C   -1.019900       1.344600     -0.5856000    
 C   -3.831300     -0.3717000     -0.1260000    
 C  -0.5402000       2.654000      3.5200000E-02
 C   -5.336000     -0.2691000      0.1424000    
 C   0.1104000       3.590000     -0.9883000    
 C  -0.8289000     -0.4311000       1.189000    
 C   0.6415000     -0.5285000      0.9755000    
 C   -6.116900      -1.291600     -0.6837000    
 C   0.5675000       4.894000     -0.3339000    
 C    1.210400      -1.411400      4.3400001E-02
 C    2.617300      -1.447900     -0.1061000    
 C    1.448000      0.3067000       1.749100    
 C   -7.607500      -1.222400     -0.3919000    
 C    1.250600       5.810800      -1.336200    
 C    3.413800     -0.6002000      0.6810000    
 C    2.831400      0.2709000       1.602100    
 C   0.4140000      -2.259100     -0.7437000    
 C    3.186300      -2.330900      -1.038200    
 C   0.9963000      -3.130300      -1.665000    
 C    2.379700      -3.166100      -1.811900    
 C    5.345700      0.2988000     -0.3749000    
 H   -3.241600      0.5733000       1.745500    
 H   -3.336700       1.654600      0.3884000    
 H   -1.766800       1.563800      -1.359600    
 H  -0.1977000      0.8561000      -1.119400    
 H   -3.492200      -1.387800      0.1112000    
 H   -3.641400     -0.2269000      -1.197000    
 H   0.1697000       2.468100      0.8443000    
 H   -1.392200       3.169100      0.4973000    
 H   -5.684100      0.7426000     -9.8099999E-02
 H   -5.527400     -0.4327000       1.209800    
 H  -0.6031000       3.810200      -1.791500    
 H   0.9701000       3.086300      -1.446600    
 H   -5.755800      -2.302900     -0.4633000    
 H   -5.949500      -1.112800      -1.752200    
 H    1.264200       4.676300      0.4841000    
 H  -0.2934000       5.413500      0.1025000    
 H    1.011200      0.9814000       2.481100    
 H   -7.810800      -1.431000      0.6633000    
 H   -8.146300      -1.960600     -0.9940000    
 H   -8.008000     -0.2319000     -0.6300000    
 H   0.5715000       6.073300      -2.153800    
 H    1.568000       6.737300     -0.8475000    
 H    2.136700       5.332200      -1.765300    
 H    3.452100      0.9225000       2.211500    
 H  -0.6703000      -2.262600     -0.6617000    
 H   -2.316800      -1.133100       2.190600    
 H    4.263300      -2.391000      -1.176300    
 H   0.3692000      -3.780800      -2.267700    
 H    2.832300      -3.845600      -2.528200    
 H    6.425700      0.1294000     -0.4001000    
 H    5.162300       1.335000     -7.3299997E-02
 H    4.942200      0.1256000      -1.377400    


%chk=000045899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045899

0 1
O 4.857549 -1.203611 0.279614
N -1.492411 0.526022 0.119930
N -1.239771 -0.680223 2.228091
C -2.950919 0.692913 0.302482
C -0.829823 1.462941 -0.820956
C -3.757256 -0.582773 -0.042199
C -0.621216 2.880531 -0.234589
C -5.265413 -0.415136 0.246051
C -0.015483 3.859889 -1.264518
C -0.764071 -0.194313 1.092597
C 0.697560 -0.450204 0.822467
C -6.095582 -1.665602 -0.124427
C 0.224376 5.273824 -0.686774
C 1.172995 -1.183051 -0.331734
C 2.593494 -1.423615 -0.487589
C 1.620371 -0.023997 1.781670
C -7.600717 -1.496405 0.174742
C 0.810461 6.255800 -1.724097
C 3.502776 -0.930395 0.519880
C 3.021207 -0.247524 1.642430
C 0.287703 -1.719915 -1.327454
C 3.071817 -2.159909 -1.618422
C 0.776989 -2.442471 -2.418096
C 2.180968 -2.660432 -2.571025
C 5.826125 -0.756632 1.282438
H -3.187698 1.014218 1.341305
H -3.279046 1.518867 -0.354291
H -1.446113 1.525433 -1.739890
H 0.145277 1.046000 -1.120247
H -3.360249 -1.441143 0.533201
H -3.605018 -0.821414 -1.113787
H 0.045539 2.804007 0.647687
H -1.589741 3.280444 0.130396
H -5.657774 0.460613 -0.313285
H -5.413811 -0.188337 1.323071
H -0.688496 3.936233 -2.144856
H 0.945496 3.452437 -1.642243
H -5.701941 -2.540651 0.431239
H -5.953636 -1.891420 -1.200858
H 0.908485 5.199167 0.182740
H -0.733057 5.674401 -0.295071
H 1.242371 0.480016 2.676624
H -7.771491 -1.300775 1.250310
H -8.171996 -2.402631 -0.097958
H -8.025024 -0.645952 -0.391932
H 0.128891 6.373462 -2.587779
H 0.976407 7.257079 -1.285824
H 1.780679 5.890883 -2.110867
H 3.696981 0.115260 2.421567
H -0.788607 -1.558842 -1.209523
H -2.236431 -0.435972 2.401918
H 4.148506 -2.326369 -1.711318
H 0.080776 -2.849906 -3.159921
H 2.554982 -3.226533 -3.431221
H 6.806114 -1.075790 0.898490
H 5.634368 -1.232290 2.263637
H 5.807822 0.344895 1.394473


