%chk=000240614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240614

0 1
S 1.393778 -0.483108 -0.623378
S -1.391819 -0.483957 0.616383
S 5.350998 1.315613 -0.686149
S -5.347880 1.316900 0.691674
O 1.255379 -0.523702 -2.061482
O 1.551469 -1.683604 0.152921
O -1.551573 -1.682961 -0.161804
O -1.250521 -0.527030 2.054126
C 0.000385 0.440337 -0.004176
C 2.747537 0.590543 -0.231633
C -2.746084 0.590808 0.229308
C 3.980392 0.159979 -1.002379
C -3.977144 0.160031 1.002788
C 6.075426 0.684932 0.867507
C -6.076809 0.688664 -0.860867
C 7.207013 1.627791 1.216713
C -7.208756 1.632647 -1.205847
H 0.325868 1.122530 0.806331
H -0.326008 1.120750 -0.815864
H 2.525128 1.654364 -0.458478
H 2.960930 0.583530 0.858971
H -2.522551 1.654271 0.456695
H -2.962302 0.585075 -0.860738
H 3.803323 0.185404 -2.102958
H 4.285488 -0.876757 -0.755351
H -3.797125 0.183953 2.102927
H -4.283533 -0.876204 0.755282
H 5.310435 0.653917 1.663764
H 6.439928 -0.349172 0.721287
H -5.313953 0.658228 -1.659190
H -6.441541 -0.345411 -0.715016
H 7.978833 1.659538 0.433895
H 6.859882 2.658841 1.372162
H 7.706817 1.313886 2.144064
H -7.978474 1.663840 -0.420938
H -6.861423 2.663692 -1.360881
H -7.711211 1.320243 -2.132270


%chk=000240614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240614

0 1
S 1.458832 -0.169502 -0.745374
S -1.456772 -0.168766 0.738930
S 5.786627 1.349389 -0.733497
S -5.783601 1.352987 0.738736
O 1.208125 -0.203209 -2.359283
O 1.671759 -1.521646 0.135976
O -1.672777 -1.520183 -0.142810
O -1.201958 -0.203436 2.352170
C 0.000297 0.918368 -0.004937
C 3.048426 0.968557 -0.405937
C -3.046558 0.970540 0.404143
C 4.224416 0.365382 -1.159238
C -4.220859 0.368182 1.160730
C 6.311884 0.425443 0.847390
C -6.313748 0.428379 -0.840132
C 7.573268 1.089269 1.416979
C -7.575351 1.093600 -1.407603
H 0.381776 1.501307 0.845969
H -0.381780 1.498014 -0.857816
H 2.761350 1.968427 -0.767319
H 3.144267 0.928335 0.690633
H -2.757736 1.970199 0.764717
H -3.145560 0.930447 -0.692149
H 4.090191 0.438246 -2.249566
H 4.391938 -0.689839 -0.886070
H -4.083740 0.441213 2.250681
H -4.389723 -0.686999 0.888235
H 5.478193 0.466236 1.569176
H 6.497762 -0.625475 0.567904
H -5.481542 0.467234 -1.563743
H -6.500597 -0.622000 -0.559278
H 8.404713 1.060481 0.690799
H 7.386528 2.143265 1.688391
H 7.898536 0.554077 2.327740
H -8.405259 1.066803 -0.679587
H -7.387575 2.147044 -1.680434
H -7.903452 0.558033 -2.317127


