%chk=000246364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246364

0 1
S -3.552659 -1.097763 0.544919
S 3.425795 1.009060 0.972133
O -3.228895 1.480742 0.011860
O 3.161977 -1.486307 0.111152
N -1.457742 0.132556 -0.567659
N 1.440650 -0.069504 -0.454778
C -0.593101 1.277312 -0.963178
C -0.792968 -1.194487 -0.444872
C 0.761004 1.236961 -0.232746
C 0.618950 -1.154713 -1.056163
C -2.705616 0.388803 -0.030096
C 2.638816 -0.394367 0.154113
C -5.147935 -0.424070 1.049789
C 4.974940 0.271804 1.529150
H -1.118253 2.239022 -0.738666
H -0.450293 1.241623 -2.068143
H -1.403999 -1.961101 -0.979916
H -0.734325 -1.498009 0.628162
H 1.411742 2.058512 -0.618672
H 0.609053 1.411284 0.859721
H 1.127825 -2.138969 -0.903342
H 0.571198 -0.987209 -2.157189
H -5.189377 0.671148 0.903956
H -5.321967 -0.630498 2.112578
H -5.951667 -0.874579 0.455303
H 5.824688 0.785434 1.063866
H 5.034320 -0.798555 1.258472
H 5.055638 0.349771 2.619946


%chk=000246364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246364

0 1
S -3.707326 -1.185710 0.505301
S 3.586125 1.103576 0.942532
O -3.343486 1.488378 -0.139974
O 3.288739 -1.478331 -0.029799
N -1.451063 0.129173 -0.329934
N 1.415386 -0.093610 -0.227634
C -0.589512 1.267792 -0.731621
C -0.808039 -1.203631 -0.196108
C 0.758156 1.217954 0.007187
C 0.593850 -1.172775 -0.827684
C -2.780241 0.364091 -0.049458
C 2.715939 -0.367951 0.138408
C -5.404162 -0.405688 0.715247
C 5.257526 0.290737 1.220545
H -1.125336 2.197850 -0.482686
H -0.429315 1.256854 -1.827521
H -1.419437 -1.970076 -0.709056
H -0.734338 -1.488106 0.871591
H 1.404222 2.035648 -0.364784
H 0.600423 1.378521 1.091524
H 1.112849 -2.128164 -0.648995
H 0.519483 -1.031116 -1.923587
H -5.289529 0.668779 0.492048
H -5.731005 -0.554734 1.753968
H -6.101013 -0.877732 0.008337
H 6.018609 0.844497 0.652875
H 5.171564 -0.745679 0.851885
H 5.478729 0.303354 2.297093


