%chk=000225007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225007

0 1
S -2.896434 -0.506975 -1.234525
S 2.896574 -0.468090 1.234497
O -2.976978 -1.800713 -1.877854
O -2.965948 0.720311 -1.998653
O 2.965839 -1.695078 1.999083
O 2.977374 0.825924 1.877231
N -1.386068 -0.445130 -0.387211
N 1.386229 -0.529966 0.387210
N -4.134381 -0.453007 -0.071073
N 4.134565 -0.522810 0.071075
C -0.437859 0.610800 -0.846930
C -0.698833 -1.752044 -0.183230
C 0.698899 0.776895 0.183196
C 0.438140 -1.586092 0.846694
C -4.318076 0.795757 0.709425
C -4.586419 -1.724446 0.545183
C 4.317580 -1.771750 -0.709311
C 4.586800 0.748350 -0.545609
C -3.339224 0.988266 1.866184
C -3.657677 -2.298846 1.614037
C 3.338567 -1.963979 -1.865991
C 3.657867 1.322938 -1.614185
H -0.004505 0.371575 -1.845224
H -0.991278 1.573879 -0.953917
H -1.444239 -2.492005 0.209490
H -0.296284 -2.165718 -1.135842
H 0.296113 1.190436 1.135764
H 1.444302 1.516966 -0.209340
H 0.991694 -2.549153 0.953211
H 0.004967 -1.347241 1.845153
H -5.364063 0.804151 1.096781
H -4.244923 1.654242 -0.003671
H -5.598136 -1.551042 0.980947
H -4.722786 -2.469409 -0.279250
H 5.363534 -1.780665 -1.096758
H 4.244123 -2.630104 0.003899
H 4.723765 1.493388 0.278659
H 5.598304 0.574535 -0.981741
H -3.378007 0.145744 2.573077
H -2.298833 1.060620 1.521788
H -3.564626 1.903180 2.424641
H -4.111378 -3.169204 2.101271
H -3.432538 -1.557754 2.396382
H -2.694844 -2.628375 1.190545
H 3.563296 -2.879256 -2.424089
H 3.377953 -1.121758 -2.573202
H 2.298119 -2.035402 -1.521577
H 4.111530 2.193324 -2.101394
H 2.695118 1.652440 -1.190463
H 3.432483 0.581993 -2.396583


%chk=000225007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225007

0 1
S -3.035708 -0.804642 -1.015628
S 3.034647 -0.171720 1.014521
O -3.095901 -2.250727 -1.765099
O -3.391507 0.553988 -1.844909
O 3.390626 -1.530116 1.844077
O 3.092239 1.274514 1.764150
N -1.373538 -0.445205 -0.231376
N 1.372928 -0.532574 0.228304
N -3.968467 -0.998044 0.622301
N 3.968977 0.022342 -0.620956
C -0.453859 0.243968 -1.184112
C -0.770960 -1.676094 0.356083
C 0.770289 0.698376 -0.358976
C 0.453179 -1.221621 1.181149
C -4.304648 0.352574 1.189741
C -5.117698 -1.943673 0.460253
C 4.307329 -1.327609 -1.188782
C 5.116544 0.969965 -0.458666
C -3.558135 0.596223 2.512381
C -5.469536 -2.541358 1.836553
C 3.560720 -1.572505 -2.511091
C 5.467935 1.568048 -1.834821
H -0.115054 -0.422510 -2.005399
H -0.972936 1.118152 -1.609856
H -1.515317 -2.144212 1.022128
H -0.455211 -2.402666 -0.420218
H 0.454510 1.424876 0.417378
H 1.514592 1.166619 -1.025010
H 0.972273 -2.095729 1.607026
H 0.114363 -0.555025 2.002339
H -5.402168 0.406876 1.333507
H -4.049879 1.140851 0.453939
H -6.006452 -1.441613 0.020357
H -4.797336 -2.744310 -0.229233
H 5.404883 -1.379490 -1.333063
H 4.054601 -2.116390 -0.452828
H 4.794620 1.770068 0.230709
H 6.005884 0.469297 -0.018368
H -3.813312 -0.172353 3.262243
H -2.468827 0.567507 2.339828
H -3.824262 1.588629 2.922277
H -6.293396 -3.269258 1.721187
H -5.800486 -1.764755 2.548973
H -4.597588 -3.061112 2.268965
H 3.828318 -2.564435 -2.921176
H 3.814346 -0.803433 -3.260979
H 2.471442 -1.545568 -2.338070
H 6.290684 2.297181 -1.719242
H 4.595387 2.086491 -2.267600
H 5.800265 0.791903 -2.547108


