%chk=000125058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125058

0 1
 O  -0.5853000     -0.5824000      0.5341000    
 O    1.785600       2.665500     -0.1628000    
 O   3.8500000E-02   1.999700       1.202200    
 O  -0.9176000     -0.3620000      -1.751300    
 N    3.605600      -1.003200      0.5458000    
 C    2.868200      -1.990300     -0.2562000    
 C    3.063100      0.2859000      7.6300003E-02
 C    3.094400      -1.400800      -1.661400    
 C    3.312500      0.1032000      -1.426400    
 C    1.359700      -2.027200      0.1053000    
 C    1.571700      0.4335000      0.3078000    
 C   0.7735000     -0.6493000      0.3231000    
 C    3.579800      -1.202500       1.984200    
 C    1.022400       1.775000      0.5179000    
 C   -1.329400     -0.4364000     -0.6033000    
 C   -2.773400     -0.3514000     -0.2612000    
 C    1.372800       4.031700     -5.4600000E-02
 C   -3.604300      0.4002000      -1.065300    
 C   -3.235200      -1.027400      0.8487000    
 C   -4.959500      0.4798000     -0.7446000    
 C   -4.590400     -0.9478000       1.169200    
 C   -5.452500     -0.1941000      0.3726000    
 H    3.300700      -2.994300     -0.1878000    
 H    3.639500       1.122700      0.4847000    
 H    2.252600      -1.585300      -2.337300    
 H    3.993100      -1.829100      -2.121700    
 H    4.347800      0.3656000      -1.678800    
 H    2.654400      0.7079000      -2.060100    
 H    1.220700      -2.608000       1.025500    
 H   0.8064000      -2.544600     -0.6874000    
 H    2.582700      -1.142900       2.430600    
 H    4.208800     -0.4522000       2.475900    
 H    4.003100      -2.181100       2.235500    
 H    1.417700       4.359300      0.9885000    
 H   0.3621000       4.154700     -0.4555000    
 H    2.061300       4.642500     -0.6446000    
 H   -3.231600      0.9324000      -1.935400    
 H   -2.587900      -1.632100       1.476500    
 H   -5.630700       1.067100      -1.364400    
 H   -4.975300      -1.475200       2.037200    
 H   -6.507800     -0.1326000      0.6219000    


%chk=000125058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125058

0 1
O -0.562602 -0.835012 0.278028
O 1.910676 2.722934 0.243531
O -0.285278 1.968633 0.398864
O -1.017007 -0.026322 -1.876019
N 3.627285 -1.018767 0.548126
C 2.998129 -2.045485 -0.332757
C 3.110591 0.253073 -0.022338
C 3.275919 -1.463078 -1.754057
C 3.480505 0.075434 -1.522135
C 1.465162 -2.156491 -0.054103
C 1.572528 0.374441 0.125154
C 0.843432 -0.786367 0.094069
C 3.509780 -1.206385 2.003457
C 0.937845 1.703897 0.267009
C -1.429735 -0.322014 -0.737451
C -2.837777 -0.278103 -0.266252
C 1.379418 4.098483 0.363727
C -3.840788 0.061314 -1.211623
C -3.193875 -0.549367 1.079689
C -5.191249 0.124021 -0.814282
C -4.547001 -0.484884 1.472479
C -5.546959 -0.150093 0.528348
H 3.474660 -3.030024 -0.178381
H 3.596606 1.123667 0.441911
H 2.436598 -1.668189 -2.441024
H 4.184400 -1.916267 -2.184674
H 4.534831 0.361221 -1.674918
H 2.848758 0.691988 -2.182649
H 1.257900 -2.743456 0.864476
H 0.961607 -2.691365 -0.882632
H 2.466267 -1.172231 2.397265
H 4.087876 -0.417235 2.516777
H 3.950582 -2.181657 2.279126
H 0.862251 4.227125 1.329753
H 0.667803 4.307092 -0.452855
H 2.263908 4.747759 0.296812
H -3.540588 0.275910 -2.242593
H -2.409611 -0.796198 1.799739
H -5.964501 0.386670 -1.544152
H -4.823427 -0.690250 2.512297
H -6.597120 -0.099925 0.837658


