%chk=000294066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294066

0 1
S -3.066328 0.888477 -0.548051
O -2.849102 2.847664 0.911582
O 1.749761 2.485137 -0.426843
O -2.201974 4.756581 -0.083936
O 2.401782 -1.563882 0.912013
N -0.286906 1.916043 0.434229
N 3.088661 0.602688 1.114171
C -1.029859 2.642513 -0.612689
C -1.772336 1.694583 -1.552645
C -3.245664 -0.729112 -1.380365
C 1.108375 1.872648 0.409779
C -2.046476 3.572573 0.066817
C 1.752425 1.054815 1.532277
C -4.242376 -1.460326 -0.542553
C -3.809941 -2.341805 0.461666
C -5.617766 -1.269259 -0.753657
C 3.270827 -0.732124 0.711997
C 4.613987 -1.026433 0.123682
C -4.745514 -3.026080 1.241633
C -6.547529 -1.956270 0.030778
C -6.114526 -2.835953 1.028105
C 5.383351 -2.054315 0.685281
C 5.080268 -0.316788 -0.991074
C 6.632217 -2.360507 0.137402
C 6.327602 -0.632181 -1.536634
C 7.104071 -1.649747 -0.971126
H -0.305077 3.287232 -1.203156
H -2.230606 2.241389 -2.398422
H -1.080061 0.951842 -1.991645
H -0.850151 1.319766 1.047229
H -3.592768 -0.592352 -2.421376
H -2.272981 -1.253263 -1.431762
H 1.131647 0.166111 1.819571
H 1.841853 1.691452 2.445408
H 3.722421 1.340622 0.805405
H -2.745629 -2.491950 0.636659
H -5.961688 -0.581581 -1.524543
H -4.405834 -3.709336 2.018686
H -7.612956 -1.804825 -0.135469
H -6.840815 -3.370527 1.636801
H 5.001253 -2.614441 1.540686
H 4.472074 0.469425 -1.440743
H -3.567749 3.396274 1.336772
H 7.235058 -3.156666 0.572388
H 6.693941 -0.085231 -2.404528
H 8.077339 -1.891283 -1.397801


%chk=000294066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294066

0 1
S -2.929921 0.950055 -0.603648
O -1.921636 4.154379 1.710074
O 1.316480 4.360096 -0.156765
O -3.392992 4.551386 -0.039675
O 0.768677 -0.016595 1.140273
N -0.240086 2.664044 0.236919
N 2.592981 1.337432 0.707305
C -1.303096 3.324503 -0.511655
C -2.047881 2.385550 -1.485095
C -1.784951 -0.512097 -1.113518
C 0.989945 3.266432 0.400551
C -2.323843 4.058332 0.379752
C 1.963206 2.511109 1.333926
C -2.301848 -1.787230 -0.492371
C -1.834085 -2.203933 0.782893
C -3.267315 -2.580105 -1.165625
C 1.961559 0.108661 0.688227
C 2.725657 -1.050999 0.115316
C -2.322289 -3.394473 1.366512
C -3.754414 -3.770359 -0.581474
C -3.282290 -4.181174 0.687395
C 1.991540 -2.199627 -0.279010
C 4.139656 -1.048909 -0.026451
C 2.654808 -3.315807 -0.828433
C 4.802028 -2.167996 -0.574890
C 4.060998 -3.301603 -0.983365
H -0.808159 4.124596 -1.103622
H -2.828277 2.951581 -2.016543
H -1.339090 1.956516 -2.211896
H -0.434197 1.778668 0.724911
H -1.804678 -0.552583 -2.215446
H -0.773440 -0.269668 -0.753121
H 1.424663 2.168477 2.234718
H 2.750059 3.224897 1.623399
H 3.464508 1.471910 0.194097
H -1.091685 -1.589343 1.305843
H -3.639665 -2.258168 -2.145827
H -1.954649 -3.707313 2.350462
H -4.499730 -4.374278 -1.111359
H -3.660133 -5.103878 1.142427
H 0.905740 -2.205338 -0.141499
H 4.739628 -0.200057 0.323501
H -2.612011 4.659812 2.220054
H 2.076994 -4.194851 -1.132842
H 5.892848 -2.161114 -0.673398
H 4.576687 -4.169339 -1.409031


