%chk=000262359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262359

0 1
S -0.699749 -0.183096 1.578164
O 0.397777 -0.769922 0.236356
O -0.077566 1.002838 2.076014
O -0.673439 -1.378313 2.356937
O 3.195928 -3.590785 0.093252
O 1.351732 3.171066 -0.498654
O 1.109096 -3.151920 -0.264787
O -0.184874 1.679319 -0.203283
N 2.266037 -2.822901 -0.111625
N 0.989376 2.024582 -0.318600
C -2.159551 0.006343 0.757663
C 1.613458 -0.386984 -0.054553
C -2.874768 -1.136662 0.353257
C -2.669443 1.282402 0.465217
C -4.601650 0.274672 -0.603307
C 2.613332 -1.395036 -0.210112
C 1.991391 0.969662 -0.280040
C -4.085902 -1.004696 -0.316387
C -3.884329 1.415753 -0.202516
C 3.944542 -1.039590 -0.456397
C 3.340071 1.299258 -0.521374
C 4.308023 0.304435 -0.596045
C -5.904194 0.415454 -1.311773
H -2.477867 -2.137678 0.568871
H -2.104935 2.181231 0.756158
H -4.634524 -1.894369 -0.624636
H -4.272137 2.409961 -0.423296
H 4.701649 -1.833478 -0.537364
H 3.607474 2.356543 -0.658774
H 5.351848 0.567660 -0.771695
H -5.965713 1.338541 -1.906789
H -6.105415 -0.419387 -1.999109
H -6.738976 0.443895 -0.592171


%chk=000262359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262359

0 1
S -0.633301 -0.307714 1.336046
O 0.412785 -0.627165 -0.425243
O -0.023364 1.060497 1.954906
O -0.561046 -1.687139 2.176661
O 3.058578 -3.589137 0.215043
O 1.767957 3.366767 0.040879
O 1.381593 -3.065099 -1.247601
O 0.155740 2.093181 -0.933854
N 2.350833 -2.746501 -0.466799
N 1.316060 2.239074 -0.391556
C -2.321826 -0.090786 0.576358
C 1.727090 -0.290105 -0.374978
C -3.179857 -1.203519 0.607355
C -2.651437 1.152897 0.014175
C -4.870225 0.202748 -0.513302
C 2.734906 -1.317123 -0.356600
C 2.220186 1.062004 -0.305632
C -4.466860 -1.035956 0.055260
C -3.947921 1.284465 -0.525888
C 4.107376 -1.035785 -0.246144
C 3.596649 1.349175 -0.193751
C 4.539937 0.304633 -0.163502
C -6.265540 0.373226 -1.080303
H -2.858241 -2.152587 1.046678
H -1.930229 1.974966 -0.018636
H -5.163480 -1.881393 0.062896
H -4.239834 2.240375 -0.974049
H 4.814770 -1.869286 -0.217180
H 3.903194 2.396590 -0.130354
H 5.606079 0.532108 -0.079733
H -6.284742 1.116200 -1.895779
H -6.665708 -0.578379 -1.469826
H -6.963422 0.727566 -0.296942


