%chk=000114962.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114962

0 1
 O    1.512800      -1.754800      0.2687000    
 O    4.247000      -2.255800      0.3320000    
 O   -4.728000      -1.359900      0.7065000    
 O   -3.575300       1.818500     -0.6809000    
 N    3.254200       1.203900     -0.5371000    
 C    3.721000      -1.229600     -0.5146000    
 C    3.806000      0.1007000      0.2375000    
 C    3.295700       2.445800      0.2227000    
 C    2.296300      -1.609800     -0.9118000    
 C    2.757400       3.585300     -0.6368000    
 C    2.491300       2.304500       1.511900    
 C   -3.972800     -0.5092000     -0.1651000    
 C   -2.522900     -0.8381000     -5.0600000E-02
 C   0.1813000      -1.452900      0.1641000    
 C   -1.829800      -1.330800      -1.156200    
 C   -1.859900     -0.6535000       1.162700    
 C  -0.4737000      -1.639100      -1.048500    
 C  -0.5038000     -0.9617000       1.270300    
 C   -4.295300      0.9520000      0.1843000    
 C   -3.801700       3.184400     -0.3591000    
 H    4.344400      -1.192800      -1.415900    
 H    3.288400     -4.4900000E-02   1.191100    
 H    4.856100      0.2992000      0.4889000    
 H    4.334300       2.691400      0.4794000    
 H    3.775700       1.307700      -1.407100    
 H    2.310100      -2.578600      -1.425300    
 H    1.902900     -0.8458000      -1.593200    
 H    3.345500       3.699300      -1.554300    
 H    2.804600       4.536000     -9.4700001E-02
 H    1.713500       3.413400     -0.9228000    
 H    3.010300       1.707400       2.268100    
 H    1.503800       1.864600       1.331000    
 H    2.327000       3.288900       1.966200    
 H   -4.320500     -0.7079000      -1.185900    
 H   -2.333800      -1.486500      -2.106400    
 H   -2.381400     -0.2779000       2.038600    
 H   -4.051400       1.175100       1.230400    
 H   -5.372900       1.122200      6.5800004E-02
 H   2.0000000E-02  -2.050200      -1.923700    
 H   9.3000000E-03 -0.8166000       2.216800    
 H    5.168200      -2.021800      0.5378000    
 H   -4.654900      -1.014800       1.612600    
 H   -3.453500       3.402000      0.6552000    
 H   -3.235500       3.801600      -1.061700    
 H   -4.863700       3.430300     -0.4548000    


%chk=000114962-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114962

0 1
O 1.480684 -1.073051 0.240940
O 3.963375 -2.577538 -0.168991
O -4.825781 -1.321147 1.588182
O -4.546107 1.424603 -0.794243
N 4.097070 1.191148 -0.496542
C 3.699274 -1.249623 -0.745408
C 4.190930 -0.113406 0.182749
C 3.905825 2.393528 0.363234
C 2.202726 -1.175510 -1.035809
C 4.268759 3.647383 -0.458404
C 2.449176 2.470285 0.871265
C -4.264795 -0.652441 0.394974
C -2.749868 -0.783902 0.325208
C 0.084267 -0.982712 0.191795
C -2.091222 -0.904261 -0.918737
C -1.964422 -0.765531 1.509888
C -0.683830 -0.999826 -0.999849
C -0.563510 -0.867468 1.448663
C -4.755860 0.801552 0.513712
C -4.907943 2.838796 -0.794957
H 4.221279 -1.157745 -1.726765
H 3.552916 -0.106294 1.081157
H 5.231571 -0.358143 0.519983
H 4.583943 2.355780 1.252660
H 4.858218 1.330716 -1.173835
H 1.888073 -2.089842 -1.576032
H 2.005087 -0.274520 -1.648522
H 5.329724 3.631631 -0.775617
H 4.107254 4.563119 0.136807
H 3.634828 3.704445 -1.362672
H 2.148688 1.546582 1.396444
H 1.760718 2.606972 0.017930
H 2.326569 3.318661 1.570269
H -4.712463 -1.074388 -0.529976
H -2.683441 -0.906331 -1.841235
H -2.463536 -0.672200 2.481239
H -4.191730 1.337951 1.306850
H -5.835012 0.797295 0.778433
H -0.205712 -1.087195 -1.979500
H 0.049839 -0.864629 2.355365
H 4.873500 -2.582737 0.223337
H -4.433313 -2.229085 1.645989
H -4.289485 3.417535 -0.075861
H -4.719817 3.206249 -1.816155
H -5.980143 2.986494 -0.541864


