%chk=000266937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266937

0 1
S 4.698203 -1.386153 0.498365
O -2.011464 0.804679 0.839594
O -3.098664 0.626444 -2.140354
O -3.058522 -2.210838 -0.063435
O -5.141735 1.146371 0.421397
N -0.115688 -0.143267 -0.193236
N 1.522967 1.618246 -0.846072
N 3.845888 0.957203 -0.488728
C -1.372765 0.590798 -0.422869
C -2.351182 -0.249578 -1.296474
C -3.381157 -0.836780 -0.297292
C -3.124704 -0.115678 1.044007
C -4.295936 0.763555 1.507530
C 1.171592 0.390338 -0.340111
C 0.018936 -1.450466 0.363193
C 2.118048 -0.611285 0.098510
C 1.353300 -1.749451 0.533416
C 3.472841 -0.248185 -0.005697
C 2.858976 1.837834 -0.888248
C 6.262865 -0.543377 0.207981
H -1.156343 1.617690 -0.814599
H -1.847056 -1.033626 -1.897646
H -4.427693 -0.721766 -0.664105
H -2.791930 -0.826611 1.833768
H -3.914845 1.669053 2.021096
H -4.983557 0.210399 2.176284
H -0.861387 -2.044791 0.572954
H -2.565540 0.892443 -2.922054
H -3.588327 -2.795856 -0.645601
H 1.771575 -2.660827 0.918935
H -4.634636 1.687543 -0.231234
H 3.203224 2.808916 -1.278174
H 6.395168 -0.283664 -0.851524
H 7.073115 -1.214806 0.516972
H 6.333532 0.391893 0.781150


%chk=000266937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266937

0 1
S 4.835115 -1.463679 0.472223
O -2.082625 0.783659 0.992103
O -3.122168 0.914076 -1.877802
O -2.910591 -2.254605 0.003683
O -5.128538 1.348438 0.068964
N -0.094837 -0.248978 0.009920
N 1.455090 1.470278 -0.811580
N 3.813523 0.870636 -0.574856
C -1.319273 0.529434 -0.226422
C -2.331292 -0.131033 -1.201753
C -3.339273 -0.880063 -0.285747
C -3.303717 -0.091268 1.045188
C -4.529821 0.808433 1.286562
C 1.180300 0.264629 -0.241183
C 0.052604 -1.521227 0.601480
C 2.144520 -0.708335 0.190469
C 1.406783 -1.829449 0.722141
C 3.501810 -0.330040 -0.015181
C 2.788797 1.707559 -0.941556
C 6.342488 -0.452634 -0.018331
H -0.957624 1.504259 -0.603558
H -1.839407 -0.792172 -1.939482
H -4.343280 -0.852467 -0.748406
H -3.169466 -0.794989 1.887186
H -4.216368 1.618852 1.976444
H -5.328996 0.219993 1.771623
H -0.830125 -2.099847 0.866342
H -2.531375 1.479820 -2.436058
H -3.115181 -2.838477 -0.768757
H 1.812668 -2.748142 1.140655
H -4.417984 1.570719 -0.597131
H 3.080940 2.662157 -1.387508
H 6.316500 -0.250219 -1.097630
H 7.210883 -1.074398 0.249407
H 6.347018 0.495482 0.536253


