%chk=000286930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286930

0 1
S -1.474175 2.569031 0.124839
O 0.032549 2.377250 0.903015
O -1.216252 2.816533 -1.262612
O -2.175858 3.505915 0.952403
O -2.160591 -3.637906 -0.579371
O -0.533665 -2.421836 -1.328555
N -1.576225 -2.576978 -0.715635
C 3.071734 -1.503922 0.701079
C 2.558613 -0.158198 0.176723
C 4.603522 -1.435658 0.858675
C 2.686382 -2.583110 -0.328300
C 2.461613 -1.870842 2.066629
C 1.503241 0.525981 0.789782
C 3.135914 0.390872 -0.985809
C 1.053167 1.727677 0.223801
C 2.674826 1.592570 -1.525043
C 1.614172 2.281741 -0.928634
C -2.156394 0.988211 0.343379
C -1.608196 -0.119952 -0.301929
C -3.259935 0.839071 1.193424
C -2.172229 -1.385174 -0.073310
C -3.829056 -0.423341 1.398278
C -3.288717 -1.543456 0.767548
H 5.000505 -2.368592 1.272670
H 5.109112 -1.268523 -0.097992
H 4.897656 -0.623132 1.532173
H 3.178945 -2.424961 -1.293218
H 2.963620 -3.583650 0.017967
H 1.604522 -2.591010 -0.522550
H 2.870314 -2.819096 2.434494
H 2.681010 -1.110225 2.823959
H 1.375860 -1.993584 2.008994
H 1.034563 0.167970 1.703192
H 3.955847 -0.132514 -1.477110
H 3.139266 1.999145 -2.424101
H 1.228023 3.207906 -1.354221
H -0.743224 -0.028357 -0.979772
H -3.682393 1.717295 1.704861
H -4.694462 -0.531224 2.055464
H -3.717405 -2.542726 0.918613


%chk=000286930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286930

0 1
S -1.564412 2.463960 -0.301378
O 0.153602 2.552005 0.875051
O -1.068511 2.232773 -1.836971
O -2.567465 3.664237 0.131398
O -2.446487 -3.922979 0.123837
O -0.829765 -2.810962 -1.042031
N -1.854050 -2.843358 -0.257256
C 3.075831 -1.507088 0.528634
C 2.669631 -0.073577 0.116648
C 4.540264 -1.494648 1.061935
C 2.979895 -2.440386 -0.717147
C 2.157166 -2.082258 1.636794
C 1.558889 0.593443 0.670969
C 3.422655 0.621704 -0.879199
C 1.216713 1.922052 0.267522
C 3.084031 1.930103 -1.294877
C 1.975941 2.592582 -0.733946
C -2.315567 0.839429 0.297898
C -1.811936 -0.352584 -0.241106
C -3.329320 0.894883 1.270307
C -2.377279 -1.546692 0.253744
C -3.883188 -0.325825 1.722180
C -3.408129 -1.555669 1.219174
H 4.846193 -2.517668 1.349264
H 5.253596 -1.132239 0.300136
H 4.632344 -0.843494 1.950579
H 3.621252 -2.088277 -1.545169
H 3.306863 -3.462017 -0.447934
H 1.940385 -2.498431 -1.087956
H 2.493527 -3.100964 1.900917
H 2.186292 -1.469638 2.557091
H 1.108335 -2.159489 1.294646
H 0.941380 0.128564 1.445032
H 4.285702 0.130544 -1.342905
H 3.683209 2.425799 -2.065865
H 1.681481 3.599222 -1.045019
H -1.035211 -0.369816 -1.011087
H -3.679223 1.862667 1.644166
H -4.682780 -0.314609 2.468674
H -3.815655 -2.512096 1.557050


