%chk=000187069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187069

1 1
S -6.995657 -0.986028 1.256270
O 1.003745 0.134704 -2.555016
O -0.569259 2.268535 2.275094
O 2.121988 2.232267 -1.601552
O 1.955153 2.835837 1.258070
O 0.700971 -1.553113 0.154579
O -9.045631 -0.193878 -0.133163
O 5.779800 -2.299680 1.487059
O 7.090901 -1.153044 -0.742629
N 0.766165 0.385200 -1.180661
N -5.728059 0.246713 -1.278942
N -7.084495 0.610017 -0.997396
C -4.911734 0.219705 -0.006242
C -3.435732 0.272985 -0.356700
C -0.701738 0.368361 -0.931804
C -5.236783 -1.075968 0.767152
C -1.196530 1.050821 0.204896
C -2.565975 0.995626 0.479770
C -2.921447 -0.397822 -1.475740
C -1.553498 -0.357288 -1.765798
C 1.429131 1.761859 -0.760141
C -0.256205 1.811234 1.040865
C 1.519196 -0.911826 -0.408353
C -5.001786 -2.364763 0.010994
C 0.995363 2.137988 0.581248
C 2.947643 -0.917895 -0.522344
C -7.846491 -0.190812 -0.102988
C 3.629276 -1.587925 0.542455
C 3.686399 -0.390023 -1.597054
C 5.003991 -1.694387 0.524935
C 5.068891 -0.497842 -1.623304
C 5.759476 -1.139006 -0.574866
C 5.101591 -2.942640 2.598857
C 7.943916 -1.789849 0.258655
H -5.164737 1.099816 0.656440
H -4.664428 -1.086249 1.729750
H -2.966825 1.522006 1.351112
H -3.596419 -0.972544 -2.126678
H -1.156005 -0.893401 -2.636664
H -5.351364 1.002564 -1.892474
H -5.485813 -2.363514 -0.978601
H -3.934753 -2.566795 -0.142121
H -5.410904 -3.234795 0.550276
H -7.590151 0.845586 -1.876575
H 1.072677 1.042105 -3.042703
H 3.045801 -2.011710 1.362846
H -1.507640 2.035898 2.550835
H 3.177703 0.101318 -2.434100
H 1.531031 3.390544 1.988994
H 5.650837 -0.090293 -2.457239
H 4.460221 -3.753249 2.241001
H 4.555323 -2.204123 3.192024
H 5.955847 -3.343355 3.165995
H 7.704935 -2.856691 0.328276
H 7.828193 -1.285024 1.224076
H 8.940492 -1.621458 -0.174074


%chk=000187069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187069

1 1
S -8.351925 0.657312 1.066253
O -0.140226 -1.145663 -2.267382
O -0.971400 2.152076 2.136012
O 1.893083 -0.349918 -0.805308
O 1.529992 1.360534 1.462779
O 2.223930 -1.618721 1.214633
O -9.636038 -0.775956 -0.938075
O 7.465047 -2.545471 0.935344
O 8.215511 -0.940405 -1.374535
N -0.386835 -0.305932 -1.144651
N -6.671492 1.269161 -1.318920
N -7.579309 0.191472 -1.503500
C -5.831842 1.242341 -0.087286
C -4.382622 0.840649 -0.384340
C -1.711432 0.063218 -0.928315
C -6.453456 0.378987 1.071042
C -1.986002 0.900042 0.213301
C -3.345663 1.269813 0.455235
C -4.065113 0.024248 -1.516095
C -2.753309 -0.366668 -1.791818
C 0.680349 0.092418 -0.377667
C -0.882457 1.328655 1.024334
C 2.811661 -1.100595 0.266567
C -6.119926 -1.123602 1.057530
C 0.440177 0.938715 0.733239
C 4.184963 -1.049677 -0.167249
C -8.644040 -0.085934 -0.640482
C 5.129641 -1.814479 0.587823
C 4.628175 -0.282897 -1.282029
C 6.489690 -1.825065 0.244245
C 5.981767 -0.291432 -1.626502
C 6.936395 -1.049753 -0.891319
C 7.042146 -3.337380 2.101394
C 9.404628 -1.622836 -0.801757
H -5.824232 2.287809 0.278656
H -6.146783 0.811216 2.040969
H -3.597535 1.907873 1.313762
H -4.875743 -0.270901 -2.186564
H -2.514231 -0.992835 -2.653422
H -7.157498 2.171416 -1.416687
H -6.431530 -1.611185 0.118604
H -5.033188 -1.284039 1.186163
H -6.638357 -1.626401 1.890391
H -7.606240 -0.225683 -2.438684
H 0.859718 -1.274519 -2.257269
H 4.767935 -2.392001 1.443258
H -1.883541 2.460061 2.356707
H 3.918145 0.318091 -1.853157
H 1.239941 1.920922 2.230996
H 6.358013 0.288918 -2.473213
H 6.318209 -4.119855 1.806261
H 6.606040 -2.687491 2.883089
H 7.963808 -3.804025 2.475426
H 9.280620 -2.715311 -0.843261
H 9.573079 -1.299992 0.236546
H 10.225898 -1.294622 -1.454470


