%chk=000198224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198224

0 1
S 3.797683 -0.138316 0.993354
O -2.490615 0.172836 0.109417
C -1.168223 2.610906 -0.123107
C -1.276833 -2.526323 0.011205
C -0.430607 1.270051 -0.204569
C -0.494443 -1.219382 -0.138799
C -1.128325 0.041557 -0.078064
C 0.948317 1.198763 -0.400424
C 0.891392 -1.226986 -0.338539
C -2.215962 2.673085 -1.252105
C -1.851021 2.719595 1.254410
C -0.214284 3.813293 -0.284285
C -0.378328 -3.774027 -0.084172
C -2.332235 -2.612671 -1.113026
C -1.966725 -2.541856 1.392734
C 1.613941 -0.036102 -0.474224
C 3.090482 -0.076455 -0.689250
C 5.574506 -0.175780 0.664046
H 1.537762 2.112047 -0.493131
H 1.434084 -2.171867 -0.384542
H -2.962392 1.874304 -1.141987
H -1.750720 2.553946 -2.234632
H -2.753723 3.624810 -1.245537
H -2.594108 1.921938 1.390761
H -2.371339 3.674022 1.368852
H -1.123356 2.631390 2.066773
H -0.766671 4.756713 -0.215396
H 0.550125 3.831794 0.499509
H 0.288654 3.805897 -1.256025
H -0.965060 -4.691478 0.034570
H 0.126050 -3.837950 -1.054303
H 0.389242 -3.780335 0.698406
H -1.856796 -2.558946 -2.099582
H -2.891361 -3.552215 -1.066852
H -3.060229 -1.792258 -1.065151
H -2.502959 -3.480177 1.563834
H -1.229065 -2.431291 2.197285
H -2.688574 -1.722611 1.508153
H 3.406744 -0.960539 -1.272793
H 3.462579 0.812463 -1.231108
H -2.945812 -0.713601 0.213937
H 6.089998 -0.215550 1.633263
H 5.912146 0.721730 0.136886
H 5.866160 -1.058823 0.087608


%chk=000198224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198224

0 1
S 3.964949 -0.120753 1.153137
O -2.580973 0.157113 0.124022
C -1.190265 2.659932 -0.129443
C -1.323746 -2.563816 0.010382
C -0.471324 1.285977 -0.178455
C -0.534864 -1.227605 -0.112019
C -1.180315 0.050106 -0.056119
C 0.929529 1.199764 -0.349540
C 0.869119 -1.228992 -0.285890
C -2.230354 2.761750 -1.287856
C -1.904647 2.841966 1.245324
C -0.194947 3.840686 -0.294576
C -0.388719 -3.800074 -0.102424
C -2.366982 -2.703067 -1.148069
C -2.015402 -2.671898 1.409567
C 1.614642 -0.035592 -0.403921
C 3.113062 -0.078205 -0.567304
C 5.756293 -0.159443 0.569644
H 1.514638 2.119017 -0.437418
H 1.408667 -2.178962 -0.324509
H -2.992534 1.971410 -1.210732
H -1.729039 2.674070 -2.269919
H -2.737846 3.744419 -1.248298
H -2.659430 2.058076 1.410053
H -2.408123 3.827036 1.276561
H -1.171258 2.805005 2.072197
H -0.758532 4.790800 -0.258812
H 0.555474 3.867615 0.517029
H 0.334894 3.804077 -1.264721
H -0.993058 -4.721580 -0.015242
H 0.133857 -3.832540 -1.075428
H 0.366682 -3.817831 0.703328
H -1.848358 -2.699621 -2.123462
H -2.914113 -3.659013 -1.049853
H -3.120326 -1.894517 -1.189910
H -2.568981 -3.626251 1.484685
H -1.252493 -2.649657 2.208001
H -2.729446 -1.858121 1.636119
H 3.443958 -0.982979 -1.106045
H 3.493456 0.817036 -1.088506
H -2.985602 -0.737931 0.216302
H 6.384023 -0.191633 1.473957
H 5.993493 0.748419 -0.008803
H 5.945038 -1.058590 -0.039638


