%chk=000112609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112609

0 1
S -3.131119 -0.390585 1.199518
S 2.215406 2.424993 -0.459220
O -3.759839 -1.641551 0.881156
O -1.900110 -0.744337 2.304028
O -3.879912 0.662684 1.831941
N 0.846276 0.347806 -1.268787
C -1.229048 -0.932432 -0.620220
C -2.139686 0.201384 -0.136313
C -0.261440 -0.512541 -1.739934
C 1.946583 -0.172113 -0.538465
C 0.768604 1.764751 -1.283624
C -3.077822 0.732926 -1.212147
C 2.818011 0.833750 -0.046434
C 2.239923 -1.523230 -0.312879
C -0.167079 2.544725 -1.821633
C 3.968734 0.518429 0.654617
C 3.405125 -1.834729 0.397872
C 4.260411 -0.835820 0.876649
H -0.640089 -1.330193 0.240215
H -1.842074 -1.786357 -0.986373
H -1.485374 1.050091 0.214128
H -0.807002 0.020352 -2.553097
H 0.180426 -1.424034 -2.209098
H -3.660890 -0.061045 -1.698459
H -3.783234 1.482418 -0.820244
H -2.504546 1.246435 -2.005418
H 1.590005 -2.312963 -0.675638
H -1.057690 2.176533 -2.310780
H -2.132725 -0.695786 3.241687
H -0.111507 3.622135 -1.818988
H 4.633403 1.297066 1.027485
H 3.648078 -2.882272 0.582172
H 5.158399 -1.108989 1.426584


%chk=000112609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112609

0 1
S -3.088828 -0.447050 1.325946
S 2.320925 2.509030 -0.387841
O -3.433161 -2.028168 1.214790
O -1.555962 -0.238339 2.377935
O -4.244858 0.568785 1.826803
N 0.863819 0.423687 -1.202327
C -1.256021 -0.901884 -0.787432
C -2.182647 0.221148 -0.316842
C -0.186834 -0.405819 -1.806402
C 1.947537 -0.149259 -0.497528
C 0.842446 1.837848 -1.263961
C -3.314545 0.632399 -1.256527
C 2.857405 0.813343 0.018267
C 2.191581 -1.524715 -0.285316
C -0.083181 2.646990 -1.856183
C 4.001612 0.437140 0.734825
C 3.347449 -1.909651 0.435071
C 4.246541 -0.944797 0.942608
H -0.729573 -1.343243 0.077858
H -1.852400 -1.705952 -1.258025
H -1.638497 1.080457 0.109857
H -0.650874 0.155850 -2.634579
H 0.290959 -1.293369 -2.260542
H -3.933852 -0.232760 -1.553263
H -3.964852 1.394028 -0.794516
H -2.884346 1.072703 -2.174671
H 1.505189 -2.288960 -0.662392
H -0.952903 2.257389 -2.389359
H -1.761725 -0.586266 3.292287
H 0.039787 3.730557 -1.836522
H 4.693339 1.189887 1.125537
H 3.540250 -2.974584 0.602490
H 5.134416 -1.258925 1.500252


