%chk=000206590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206590

0 1
S -2.422192 -4.039924 -2.000273
S 4.033960 2.956553 0.456864
S 3.554875 1.065962 2.664188
O 0.115075 -0.342183 -1.407062
O -0.781339 1.629168 -0.674895
N -1.822594 -0.415402 -0.206639
C -3.063743 0.178204 0.401021
C -2.696812 1.001929 1.653008
C 2.408806 0.379840 -0.826391
C -1.784530 -1.881500 -0.453400
C -3.803962 1.039928 -0.625677
C 1.287464 0.384790 -1.880953
C -0.854320 0.414490 -0.749692
C 1.987886 1.199491 0.416043
C -2.212783 0.128309 2.803850
C 2.784641 -1.051912 -0.444965
C -2.431591 -2.237710 -1.790833
C 3.140369 1.653299 1.227264
H -3.716454 -0.684188 0.701821
H -3.580598 1.589317 1.970544
H -1.921511 1.756329 1.392252
H 3.298075 0.869647 -1.304599
H -0.717144 -2.214194 -0.430111
H -2.299152 -2.393389 0.392712
H -4.744985 1.425004 -0.218496
H -4.041499 0.482946 -1.537437
H -3.199709 1.911724 -0.926106
H 1.557406 -0.208373 -2.774059
H 0.990623 1.409359 -2.174203
H 1.287992 0.585335 1.033242
H 1.350650 2.066936 0.099269
H -1.324338 -0.451381 2.523311
H -1.936557 0.740335 3.671348
H -2.980190 -0.579872 3.134190
H 1.904824 -1.616131 -0.108027
H 3.517512 -1.074478 0.371104
H 3.218438 -1.595299 -1.290842
H -1.916905 -1.733007 -2.631681
H -3.489793 -1.910633 -1.833883
H -1.118034 -4.225874 -2.292948
H 5.010536 3.156256 1.374537


%chk=000206590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206590

0 1
S -2.324815 -4.280625 -1.712970
S 4.346492 2.723664 0.713966
S 3.564692 0.555502 2.780975
O 0.100687 -0.274126 -1.337186
O -0.972552 1.742194 -0.749015
N -1.943327 -0.350997 -0.271408
C -3.193058 0.243142 0.314662
C -2.902751 1.049827 1.608550
C 2.449928 0.486122 -0.913518
C -1.823936 -1.826855 -0.344584
C -3.982339 1.072900 -0.723533
C 1.240074 0.517591 -1.870564
C -0.964219 0.479443 -0.769267
C 2.072260 1.163396 0.447821
C -2.202456 0.226398 2.708864
C 2.997995 -0.943781 -0.719065
C -2.394647 -2.386988 -1.663948
C 3.259914 1.400050 1.357680
H -3.806610 -0.636130 0.596673
H -3.874950 1.425459 1.984943
H -2.295686 1.934594 1.345503
H 3.231947 1.106345 -1.401511
H -0.762099 -2.108660 -0.254642
H -2.367458 -2.265671 0.510929
H -4.941362 1.404241 -0.285429
H -4.203990 0.474843 -1.626013
H -3.407828 1.964105 -1.024705
H 1.493373 0.028481 -2.826979
H 0.893591 1.551547 -2.047299
H 1.357702 0.517260 0.985598
H 1.563390 2.124505 0.236041
H -1.226692 -0.158608 2.359429
H -2.014036 0.845331 3.604307
H -2.816948 -0.639542 3.022697
H 2.226921 -1.597094 -0.272535
H 3.877883 -0.950070 -0.053031
H 3.297884 -1.382028 -1.689049
H -1.845903 -1.987171 -2.530846
H -3.465961 -2.150869 -1.775138
H -0.941996 -4.372725 -1.737988
H 5.289283 2.644701 1.724982


