%chk=000148591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148591

0 1
 O  -0.1002000     -0.8615000      -1.940500    
 O   0.5841000      3.5000001E-03   1.422800    
 N    3.067700      2.2700001E-02  0.2881000    
 N  -0.4176000     -0.4369000     -0.6331000    
 C    2.000100     -0.7306000     -0.3688000    
 C    2.858400       1.460000      0.1178000    
 C    4.372200     -0.3705000     -0.2435000    
 C   -1.748000     -0.1202000     -0.2397000    
 C   0.6564000     -0.3485000      0.2451000    
 C   -2.202100       1.178200     -0.3838000    
 C   -2.553400      -1.119000      0.2770000    
 C    3.959400       2.258900      0.7946000    
 C    4.632600      -1.850600     -2.0000000E-02
 C   -3.506200       1.488500      1.7000000E-03
 C   -3.857400     -0.8085000      0.6625000    
 C   -1.339700       2.264200     -0.9409000    
 C   -2.072300      -2.524800      0.4361000    
 C   -4.334000      0.4952000      0.5248000    
 H    2.040900     -0.5468000      -1.446300    
 H    2.084300      -1.808500     -0.1949000    
 H    2.813700       1.737200     -0.9436000    
 H    1.920300       1.793700      0.5708000    
 H    4.471000     -0.1329000      -1.310300    
 H    5.180700      0.1443000      0.2850000    
 H    4.145700       1.911700       1.816600    
 H    4.898100       2.242600      0.2323000    
 H    3.658600       3.311000      0.8600000    
 H    4.420700      -2.148900       1.012600    
 H    4.054400      -2.484600     -0.6991000    
 H    5.688800      -2.070500     -0.2125000    
 H   -3.894000       2.498800     -9.8600000E-02
 H   -4.515900      -1.569800       1.072500    
 H   -1.047000       2.034600      -1.970200    
 H   -1.861900       3.227200     -0.9610000    
 H  -0.4428000       2.398800     -0.3283000    
 H   -1.730800      -2.926800     -0.5236000    
 H   -1.252400      -2.569500       1.160200    
 H   -2.865300      -3.188200      0.7986000    
 H   -5.349400      0.7368000      0.8251000    
 H  -5.5599999E-02 -5.2000000E-03  -2.398800    


%chk=000148591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148591

0 1
O -0.276858 -1.216034 -1.829384
O 0.589050 0.940019 0.931209
N 3.195900 0.204287 0.000885
N -0.467726 -0.216111 -0.762316
C 2.014709 -0.202097 -0.767053
C 3.454067 1.669229 -0.037540
C 4.392395 -0.618051 -0.313751
C -1.821850 -0.075162 -0.283156
C 0.691163 0.220950 -0.102144
C -2.441832 1.204681 -0.365261
C -2.496838 -1.212699 0.250205
C 4.227289 2.167765 1.197253
C 4.328175 -2.037772 0.282657
C -3.780469 1.324375 0.081523
C -3.837950 -1.049684 0.670938
C -1.684757 2.415419 -0.870919
C -1.796979 -2.549864 0.389165
C -4.478210 0.206517 0.585964
H 2.011807 0.193704 -1.818463
H 1.999624 -1.300436 -0.872743
H 3.995368 1.958914 -0.975527
H 2.474799 2.176630 -0.051636
H 4.573456 -0.678862 -1.418825
H 5.268358 -0.099965 0.115643
H 3.654488 1.926279 2.108330
H 5.227468 1.704387 1.282788
H 4.370669 3.263478 1.145097
H 4.177749 -1.979362 1.374348
H 3.501737 -2.635437 -0.143688
H 5.268902 -2.583336 0.080023
H -4.273032 2.302196 0.031411
H -4.374424 -1.911960 1.083265
H -1.138693 2.200604 -1.808260
H -2.366960 3.262919 -1.052360
H -0.929363 2.726179 -0.124837
H -1.573921 -2.992755 -0.597285
H -0.827374 -2.435480 0.908663
H -2.415487 -3.258702 0.964684
H -5.515861 0.314956 0.920866
H -0.556492 -0.744621 -2.663069


