%chk=000071204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071204

0 1
 O   -1.702800       3.046500      0.9031000    
 O   -1.960900       2.885800      -1.391800    
 N    2.717000      -1.356400      0.4057000    
 N  -0.6769000      0.1403000     -6.6999998E-03
 C    2.066700       1.047500     -0.2590000    
 C    1.748100     -0.2417000      0.5605000    
 C    2.492500      0.6934000      -1.702300    
 C   0.3501000     -0.7132000      0.3144000    
 C    3.038300      -1.658700     -0.9937000    
 C    3.532500     -0.4222000      -1.739400    
 C    3.201600       1.820500      0.4475000    
 C    2.251400      -2.567800       1.131900    
 C  -8.8900000E-02  -2.003100      0.4243000    
 C   0.8363000       1.960800     -0.3392000    
 C   0.8607000      -3.115000      0.7058000    
 C  -0.4303000       1.505000     -0.2220000    
 C   -1.483600      -1.974700      0.1896000    
 C   -1.839400     -0.6364000     -8.5000001E-02
 C    2.798900       2.197300       1.853500    
 C   -2.477500      -2.976200      0.1660000    
 C   -1.451600       2.551900     -0.3346000    
 C   -3.166700     -0.3098000     -0.4178000    
 C   -3.796300      -2.636700     -0.1383000    
 C   -4.132500      -1.322000     -0.4311000    
 C   -2.686500       4.084900      0.9587000    
 H    1.739800     -5.5000000E-03   1.630000    
 H    2.890100       1.577900      -2.216500    
 H    1.620200      0.3685000      -2.286200    
 H    2.176100      -2.074000      -1.529400    
 H    3.830300      -2.416700      -1.028500    
 H    3.739300     -0.6877000      -2.783000    
 H    4.482300     -7.8699999E-02  -1.313800    
 H    3.438000       2.734400     -0.1132000    
 H    4.126700       1.235300      0.4906000    
 H    2.213300      -2.318000       2.201200    
 H    2.998700      -3.366700       1.049600    
 H    1.017600       3.014800     -0.5447000    
 H   0.4665000      -3.763300       1.496200    
 H   0.9692000      -3.724600     -0.1991000    
 H    1.793900       2.618100       1.939900    
 H    2.897400       1.364600       2.555900    
 H    3.488700       2.966600       2.221900    
 H   -2.222500      -4.011200      0.3771000    
 H   -3.457700      0.7080000     -0.6531000    
 H   -4.560800      -3.408400     -0.1559000    
 H   -5.161700      -1.072800     -0.6769000    
 H   -2.361200       4.946500      0.3680000    
 H   -2.795300       4.394600       2.001400    
 H   -3.650700       3.711800      0.6002000    


%chk=000071204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071204

0 1
O -2.398869 2.410899 0.795592
O -1.207655 3.868597 -0.577107
N 2.719490 -1.359301 0.470970
N -0.645882 0.278633 0.100359
C 2.172086 1.047529 -0.262141
C 1.819921 -0.174198 0.656960
C 2.390869 0.554609 -1.738409
C 0.388549 -0.611081 0.468377
C 2.895746 -1.780140 -0.946054
C 3.398183 -0.612152 -1.810526
C 3.460021 1.771444 0.245328
C 2.242728 -2.484968 1.328389
C -0.087534 -1.905482 0.571390
C 0.996514 2.012439 -0.270198
C 0.827320 -3.048676 0.941535
C -0.317915 1.644661 -0.116845
C -1.492528 -1.863290 0.202100
C -1.824261 -0.490453 -0.106672
C 3.348154 2.448261 1.629445
C -2.482472 -2.868842 0.074216
C -1.328743 2.741621 -0.036017
C -3.107009 -0.136554 -0.574267
C -3.768995 -2.511054 -0.376118
C -4.070985 -1.159990 -0.704878
C -3.407354 3.479495 0.992845
H 1.962394 0.155213 1.707122
H 2.726762 1.410589 -2.353680
H 1.421510 0.217583 -2.155975
H 1.947632 -2.164306 -1.396156
H 3.626628 -2.611078 -0.951421
H 3.501419 -0.951644 -2.858817
H 4.399216 -0.293537 -1.466473
H 3.734875 2.536944 -0.509027
H 4.284291 1.036182 0.274196
H 2.209684 -2.114108 2.370733
H 2.993468 -3.295844 1.285996
H 1.196948 3.079780 -0.412208
H 0.426545 -3.626822 1.797738
H 0.911159 -3.764673 0.098121
H 2.513908 3.172519 1.668302
H 3.193142 1.711977 2.438691
H 4.279690 2.995749 1.862634
H -2.244791 -3.911967 0.311695
H -3.362295 0.893496 -0.828810
H -4.543999 -3.278052 -0.484232
H -5.073080 -0.904859 -1.067775
H -2.950284 4.337569 1.513611
H -4.189128 3.012337 1.607337
H -3.806674 3.818447 0.021925


