%chk=000277904.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277904

0 1
S 0.804369 -1.726891 -0.188131
O 0.402633 -2.024190 -1.539783
O 1.493384 -2.747981 0.579923
N -0.606113 -1.440791 0.796656
N -1.384539 -0.427623 0.303239
C -3.326773 1.005386 0.130325
C -2.592481 -0.193072 0.731266
C -2.494331 2.285248 0.260926
C -3.685813 0.712916 -1.330554
C 1.683179 -0.246664 -0.131252
C -3.338831 -1.000407 1.751211
C 2.812173 -0.144138 0.689497
C 1.273321 0.843681 -0.905038
C 3.536115 1.050060 0.732647
C 1.997326 2.039929 -0.861603
C 3.127056 2.141077 -0.043513
H -4.278085 1.152048 0.704616
H -2.231998 2.485204 1.305631
H -3.038817 3.153714 -0.123080
H -1.552817 2.209358 -0.298300
H -4.297828 -0.191275 -1.420312
H -2.785823 0.552422 -1.939562
H -4.243252 1.541781 -1.778156
H -4.365017 -0.641147 1.904376
H -3.418864 -2.055648 1.453715
H -2.840134 -0.963316 2.730818
H -1.013166 -2.190000 1.373712
H 3.131312 -1.001326 1.294639
H 0.385950 0.764275 -1.543544
H 4.416242 1.130912 1.368364
H 1.680977 2.888975 -1.464990
H 3.692345 3.073283 -0.009846


%chk=000277904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277904

0 1
S 0.880752 -1.490416 -0.541352
O 0.401730 -1.341370 -2.088622
O 1.534725 -2.866985 0.032339
N -0.584770 -1.187430 0.705130
N -1.419426 -0.192560 0.226973
C -3.519316 1.052847 0.164828
C -2.645771 -0.079794 0.694313
C -2.736738 2.087936 -0.669082
C -4.703354 0.461984 -0.657242
C 1.995129 -0.033335 -0.126292
C -3.212932 -1.024679 1.740700
C 2.921455 -0.194949 0.915791
C 1.864905 1.131995 -0.897508
C 3.773241 0.896592 1.202653
C 2.724978 2.212312 -0.591194
C 3.670879 2.093887 0.454481
H -3.953980 1.564694 1.051329
H -1.913985 2.533051 -0.083188
H -3.413796 2.895657 -1.002910
H -2.289444 1.611441 -1.558623
H -5.284455 -0.280539 -0.080195
H -4.322907 -0.031472 -1.569934
H -5.393536 1.269194 -0.962868
H -4.214251 -0.705371 2.069762
H -3.303081 -2.061797 1.354223
H -2.547895 -1.066415 2.625367
H -0.985132 -2.143233 0.851059
H 2.982448 -1.140673 1.463604
H 1.132203 1.181407 -1.708624
H 4.513592 0.809528 2.004570
H 2.655368 3.139834 -1.168796
H 4.335066 2.934461 0.683204


