%chk=000265493.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265493

0 1
S -2.151957 1.356829 0.561494
O -3.115640 2.291308 0.010936
O -1.500112 1.647628 1.816072
O 4.398655 -2.188354 -1.215286
O 4.280956 -2.267833 1.040697
N -0.938249 1.204267 -0.683258
C -1.123701 2.022995 -1.918270
C 0.279505 0.503407 -0.516469
C -2.835210 -0.217714 0.609571
C -0.330880 3.339268 -1.878534
C 1.017266 0.078685 -1.650551
C 0.754140 0.173556 0.774927
C -3.932596 -0.524813 -0.204926
C -2.316189 -1.193988 1.470040
C 2.164129 -0.687763 -1.493395
C 1.901928 -0.595225 0.918934
C -3.973548 -2.782283 0.682098
C 2.611285 -1.045005 -0.209788
C -4.499605 -1.797937 -0.173167
C -2.877366 -2.468759 1.506735
C -1.045974 4.448734 -1.163846
C -4.567920 -4.148609 0.727077
C 3.812799 -1.869333 -0.004420
C -0.548834 5.679861 -1.062232
C 5.628595 -2.977942 -1.186398
C 6.802094 -2.087714 -0.832677
H -0.811628 1.421745 -2.804544
H -2.213498 2.232691 -2.051766
H 0.662802 3.173155 -1.406279
H -0.103977 3.655825 -2.918952
H 0.679122 0.343033 -2.651399
H 0.269842 0.567378 1.676730
H -4.356751 0.241055 -0.864748
H -1.468516 -0.957245 2.123966
H 2.728334 -1.023645 -2.369152
H 2.270966 -0.851062 1.918113
H -5.352736 -2.027212 -0.809361
H -2.466765 -3.223561 2.176053
H -2.015502 4.182570 -0.724305
H -3.815515 -4.922715 0.510186
H -4.976911 -4.373263 1.724752
H -5.386425 -4.288242 0.007880
H -1.061786 6.478339 -0.545996
H 0.400139 5.987038 -1.473573
H 5.660472 -3.350724 -2.225968
H 5.496983 -3.809905 -0.471420
H 6.738090 -1.748188 0.212740
H 6.830512 -1.189049 -1.461711
H 7.756279 -2.613086 -0.950910


%chk=000265493-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265493

0 1
S -2.314283 1.441462 1.117192
O -3.531935 2.418512 0.655637
O -1.702765 1.485043 2.620331
O 3.975805 -2.383390 -0.850780
O 4.257645 -1.915150 1.421739
N -0.805796 1.894346 -0.141466
C -1.381171 2.274533 -1.450983
C 0.257600 0.956705 -0.063279
C -2.817692 -0.336445 0.741372
C -0.444337 3.292596 -2.165818
C 0.708090 0.201336 -1.189306
C 0.947004 0.814993 1.181987
C -3.827326 -0.547881 -0.211260
C -2.165376 -1.377493 1.425140
C 1.809895 -0.663606 -1.073606
C 2.029108 -0.069846 1.293823
C -3.560396 -2.973374 0.159745
C 2.475765 -0.817680 0.169579
C -4.193682 -1.883323 -0.493227
C -2.549220 -2.700387 1.121247
C -0.310942 4.598786 -1.411580
C -3.956259 -4.405163 -0.149926
C 3.638993 -1.728804 0.342227
C -0.477770 5.827707 -1.959626
C 5.149554 -3.305488 -0.788010
C 6.456032 -2.537663 -1.009714
H -1.571585 1.402268 -2.114405
H -2.349488 2.767342 -1.247652
H 0.554624 2.829115 -2.295148
H -0.852441 3.475905 -3.178564
H 0.203268 0.293318 -2.155497
H 0.620773 1.412641 2.037360
H -4.329576 0.300146 -0.688151
H -1.404475 -1.157937 2.180237
H 2.159613 -1.234975 -1.937933
H 2.562437 -0.183849 2.243184
H -4.986528 -2.078092 -1.224079
H -2.059309 -3.531508 1.641487
H -0.058872 4.503698 -0.346088
H -3.100844 -4.975064 -0.558296
H -4.290565 -4.932959 0.762352
H -4.775316 -4.451612 -0.886837
H -0.361697 6.739787 -1.363736
H -0.738644 5.959825 -3.017776
H 4.953092 -4.030468 -1.594399
H 5.145721 -3.812885 0.192705
H 6.637799 -1.828907 -0.184732
H 6.429238 -1.980416 -1.962041
H 7.303335 -3.247500 -1.047729


