%chk=000201227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201227

0 1
S -5.337568 2.129919 -0.159028
O 0.279528 -4.845723 -1.244961
O -5.539663 3.540055 0.270355
N 0.271494 -2.334231 0.118680
N 2.638774 0.168094 0.416764
N 1.494857 2.017016 -0.331681
N 3.984449 2.063581 -0.419942
C 0.735343 -1.363408 1.170352
C 1.358699 -2.681015 -0.852949
C -0.245936 -3.579272 0.780991
C 1.264357 -0.110231 0.572908
C 0.797409 -3.665482 -1.891858
C -0.767367 -4.534045 -0.305289
C 0.594096 1.035494 0.103347
C 2.739426 1.520286 -0.157140
C -0.849763 1.288689 0.055470
C 3.783685 -0.569927 0.700205
C -1.343151 2.559841 0.398804
C -1.736975 0.273322 -0.340422
C 4.996867 0.007015 0.424050
C 5.052787 1.332765 -0.138983
C -2.718771 2.803261 0.365546
C -3.111192 0.524561 -0.375128
C -3.589171 1.783723 -0.014926
C -5.914999 1.079640 1.207481
H 1.475946 -1.804062 1.876604
H -0.167868 -1.104748 1.783056
H 2.254302 -3.119674 -0.365826
H 1.676608 -1.747061 -1.367727
H -1.077690 -3.296125 1.460853
H 0.522989 -4.097040 1.393926
H -0.002544 -3.206633 -2.499899
H 1.586322 -4.078422 -2.544636
H -1.027006 -5.527043 0.101839
H -1.626631 -4.104768 -0.850314
H 3.670433 -1.569859 1.127791
H -0.648386 3.355498 0.677036
H -1.350344 -0.708110 -0.631887
H 5.926980 -0.521451 0.624262
H 6.032783 1.783840 -0.355964
H -3.113454 3.790921 0.632337
H -3.790024 -0.266533 -0.689775
H -5.424135 1.311961 2.157693
H -5.748094 0.025107 0.985062
H -6.987800 1.238078 1.360921


%chk=000201227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201227

0 1
S -5.512165 2.021597 -0.257305
O 0.333578 -4.951218 -1.457600
O -5.565613 3.694965 -0.244099
N 0.359271 -2.473569 0.050175
N 2.632583 0.166159 0.490464
N 1.436821 2.037134 -0.120792
N 3.876537 2.212648 -0.097664
C 0.819067 -1.516855 1.097716
C 1.388002 -2.754479 -0.985170
C -0.135563 -3.739205 0.655869
C 1.281795 -0.190310 0.565593
C 0.804810 -3.690421 -2.055715
C -0.690748 -4.662212 -0.442039
C 0.572041 0.980034 0.175955
C 2.688417 1.567936 0.063732
C -0.886185 1.173398 0.076795
C 3.805603 -0.526957 0.732494
C -1.404092 2.499226 0.107779
C -1.780483 0.074922 -0.073986
C 5.012937 0.143095 0.567127
C 5.005461 1.516520 0.149546
C -2.791363 2.729627 0.022599
C -3.172422 0.300748 -0.160492
C -3.648461 1.622283 -0.090436
C -5.984001 1.545213 1.556163
H 1.630463 -1.968882 1.724734
H -0.039225 -1.343958 1.775322
H 2.295029 -3.236227 -0.538044
H 1.694876 -1.802071 -1.455106
H -0.936106 -3.500672 1.382862
H 0.679914 -4.273707 1.205018
H -0.035883 -3.182348 -2.574753
H 1.573441 -3.980472 -2.790088
H -0.982379 -5.640784 -0.026950
H -1.571577 -4.183177 -0.921801
H 3.731223 -1.571775 1.042774
H -0.697422 3.330775 0.188042
H -1.377594 -0.940865 -0.182065
H 5.954674 -0.378150 0.750897
H 5.947267 2.057742 0.013362
H -3.230489 3.735890 0.031320
H -3.858030 -0.543401 -0.302409
H -5.360870 2.176512 2.205460
H -5.792524 0.472700 1.711987
H -7.051012 1.790392 1.660724


