%chk=000001970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001970

0 1
 O    3.880900      5.9500001E-02  -1.134400    
 O    4.754800       2.303500      0.8663000    
 O    5.687000      1.6200000E-02   1.969800    
 O    4.296900      -2.456800      -1.336200    
 N    1.738500      0.7050000     -0.3220000    
 N  -8.0600001E-02 -0.5784000     -0.1715000    
 N    6.100700      -2.459700      0.1352000    
 N   0.6931000       2.896400     -0.4089000    
 N   -2.872600      0.6249000     -0.1249000    
 N   -1.739000       2.725400     -0.2983000    
 N   -8.194000      -2.770300      0.4429000    
 C    3.830900       1.219200      0.9582000    
 C    3.154500       1.068800     -0.4016000    
 C    4.568400     -9.5600002E-02   1.113200    
 C    4.960200     -0.4095000     -0.3167000    
 C    5.069500      -1.874700     -0.5793000    
 C   0.6697000       1.557500     -0.3285000    
 C    1.234900     -0.5666000     -0.2268000    
 C  -0.4471000      0.7426000     -0.2339000    
 C   -1.686900       1.373700     -0.2198000    
 C    6.402700      -3.871600      7.5000003E-02
 C  -0.5631000       3.392800     -0.3866000    
 C   -4.174700       1.222100     -0.1062000    
 C   -5.236600      0.1674000      3.8800001E-02
 C   -5.656500     -0.2120000       1.307000    
 C   -5.784000     -0.4147000      -1.097100    
 C   -6.641300      -1.190600       1.441600    
 C   -6.768800      -1.393200     -0.9624000    
 C   -7.197500      -1.781200      0.3070000    
 H    3.153300       1.428800       1.791500    
 H    3.204800       1.988600     -0.9960000    
 H    3.894600     -0.8645000       1.510900    
 H    5.886900      8.8600002E-02 -0.6250000    
 H    4.236300       3.117300      0.7445000    
 H    5.362900      0.3224000       2.834000    
 H    1.864900      -1.444500     -0.1955000    
 H    6.691000      -1.878400      0.7232000    
 H    7.369200      -3.992300     -0.4204000    
 H    5.633800      -4.419600     -0.4746000    
 H    6.470300      -4.250300       1.097700    
 H   -2.776800     -0.3838000     -7.2099999E-02
 H  -0.6424000       4.472900     -0.4476000    
 H   -4.348500       1.793200      -1.027300    
 H   -4.258000       1.938800      0.7212000    
 H   -5.228600      0.2402000       2.197400    
 H   -5.455900     -0.1212000      -2.090300    
 H   -6.966700      -1.484700       2.436200    
 H   -7.194200      -1.846300      -1.854300    
 H   -8.504500      -3.052900       1.363000    
 H   -8.596700      -3.199500     -0.3796000    


%chk=000001970-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001970

0 1
O 3.806242 -0.256470 -1.624370
O 4.726776 2.553752 -0.662592
O 5.926731 0.980458 1.084545
O 4.051329 -2.802183 -0.455865
N 1.713716 0.312724 -0.598004
N 0.050706 -1.131233 0.031309
N 6.099155 -2.225339 0.519857
N 0.568193 2.480667 -0.176496
N -2.647138 -0.016407 1.048755
N -1.716614 2.146598 0.677794
N -8.479059 -1.890771 -1.147557
C 3.783687 1.598511 -0.070213
C 2.976670 0.844148 -1.158708
C 4.677078 0.484190 0.537066
C 4.907339 -0.482406 -0.673003
C 4.962353 -1.955774 -0.218400
C 0.637074 1.112627 -0.201757
C 1.307791 -1.030860 -0.445738
C -0.377946 0.201241 0.184075
C -1.604551 0.771469 0.647268
C 6.352980 -3.539276 1.124953
C -0.653563 2.904060 0.274477
C -3.941013 0.495292 1.539203
C -5.125862 -0.149524 0.833333
C -6.166255 -0.768991 1.567334
C -5.232199 -0.129347 -0.581934
C -7.280529 -1.344607 0.923779
C -6.334275 -0.702257 -1.241293
C -7.382476 -1.320970 -0.496572
H 3.120860 2.091375 0.660573
H 2.736544 1.493255 -2.018872
H 4.150353 -0.026727 1.358936
H 5.853982 -0.203179 -1.174273
H 4.268715 3.405823 -0.862576
H 6.151965 1.796562 0.553902
H 1.980820 -1.854198 -0.687452
H 6.727088 -1.444857 0.737791
H 7.295267 -3.975769 0.746841
H 5.516593 -4.201576 0.850544
H 6.407045 -3.467618 2.226664
H -2.509300 -1.028150 0.982225
H -0.800526 3.987710 0.320186
H -3.909011 1.588150 1.380225
H -4.021456 0.323678 2.631651
H -6.107541 -0.802899 2.663015
H -4.436441 0.340159 -1.172931
H -8.072396 -1.818454 1.517141
H -6.392478 -0.674760 -2.336634
H -9.224570 -2.335376 -0.620709
H -8.546152 -1.879569 -2.160693


