%chk=000194968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194968

0 1
S -0.883424 -1.339711 0.369200
O 3.314499 0.728056 -0.921563
O 3.253199 0.703502 1.326056
O -3.716933 1.266047 -0.268635
O -3.814612 -0.896224 0.320583
N 0.432333 1.413692 0.062710
C 0.818339 -1.068771 -0.292554
C 1.194971 0.371451 0.022350
C 1.670488 -2.079267 0.453001
C 0.828182 -1.271000 -1.796319
C -1.665137 0.185837 0.070742
C -0.971446 1.331724 -0.094406
C 2.661717 0.629389 0.282334
C -3.128809 0.064294 0.073632
H 1.280959 -3.104551 0.356658
H 2.698944 -2.109797 0.063683
H 1.738386 -1.864878 1.531544
H 0.108861 -0.623752 -2.316859
H 1.820051 -1.047973 -2.222320
H 0.581622 -2.305939 -2.072344
H -1.447586 2.302652 -0.309608
H 4.285279 0.935696 -0.814776
H -4.711885 1.212022 -0.269909


%chk=000194968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194968

0 1
S -0.789892 -1.341850 0.617792
O 3.611139 0.181684 -0.344549
O 2.896982 1.640884 1.320219
O -3.736220 1.300252 -0.206320
O -3.802391 -0.888675 0.588734
N 0.395672 1.425033 -0.163102
C 0.877858 -1.045167 -0.348762
C 1.236268 0.417284 -0.025332
C 1.829700 -2.109068 0.231026
C 0.655053 -1.241679 -1.860370
C -1.663532 0.133417 0.053244
C -0.963091 1.251907 -0.376995
C 2.621660 0.821147 0.422890
C -3.132439 0.092993 0.184119
H 1.399850 -3.115044 0.080716
H 2.800128 -2.061858 -0.287716
H 2.001108 -1.963248 1.312091
H -0.090570 -0.538148 -2.267865
H 1.611756 -1.080262 -2.392334
H 0.308920 -2.270868 -2.060020
H -1.506789 2.115769 -0.768748
H 4.508236 0.499980 -0.049971
H -4.721410 1.208015 -0.105548


