%chk=000280821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280821

0 1
S 2.806064 1.233557 -1.881338
P -1.170095 0.027202 0.187724
O 0.156105 0.477195 -0.771958
O -1.251225 -1.596464 0.121523
O -2.234830 0.457620 -1.003229
O -1.336515 0.619838 1.516325
N 1.213675 0.055869 0.040215
C 3.628492 -0.035908 0.382988
C 3.652759 -1.554413 0.583556
C 3.653168 0.713468 1.718732
C 2.386181 0.370441 -0.400621
C -1.156248 -2.200393 -1.210195
C -3.128558 1.569454 -0.734330
C -1.331920 -3.680421 -0.929952
C -4.164679 1.221535 0.317436
C 1.303835 1.977836 -2.538776
H 4.544141 0.253970 -0.200765
H 3.627226 -2.088830 -0.372623
H 2.790354 -1.897356 1.172781
H 4.556853 -1.866932 1.117576
H 4.547438 0.460570 2.298309
H 2.779215 0.464601 2.338274
H 3.645463 1.800154 1.573303
H -1.963213 -1.794787 -1.851754
H -0.161176 -1.969581 -1.636917
H -2.538527 2.466375 -0.468001
H -3.584510 1.711360 -1.736458
H -1.242519 -4.278275 -1.842779
H -0.580685 -4.034741 -0.209118
H -2.312167 -3.884291 -0.476877
H -4.986552 1.946823 0.320809
H -4.601254 0.228843 0.144401
H -3.740622 1.213504 1.336797
H 1.590585 2.604804 -3.392786
H 0.583905 1.219664 -2.878797
H 0.795839 2.605110 -1.794776


%chk=000280821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280821

0 1
S 2.910576 1.389726 -1.925695
P -1.279260 0.335849 0.197608
O 0.215706 0.641389 -0.686137
O -1.441541 -1.369813 0.307801
O -2.268454 0.842870 -1.127661
O -1.529781 1.071753 1.574758
N 1.356679 -0.022570 0.023690
C 3.762421 -0.349162 0.092644
C 3.487228 -1.736812 0.716258
C 4.389633 0.624382 1.129590
C 2.507900 0.293096 -0.514690
C -1.082363 -2.234534 -0.862665
C -3.548981 1.544763 -0.796016
C -1.569698 -3.634793 -0.505703
C -4.627684 0.567531 -0.322739
C 1.572249 2.727194 -2.009164
H 4.485657 -0.470756 -0.740299
H 3.065928 -2.435842 -0.028004
H 2.770212 -1.657915 1.550275
H 4.431193 -2.163628 1.100866
H 5.341256 0.208717 1.507450
H 3.704622 0.762836 1.984847
H 4.594578 1.611550 0.679698
H -1.577101 -1.840380 -1.770426
H 0.014046 -2.197260 -0.994332
H -3.347318 2.320560 -0.034297
H -3.815786 2.024399 -1.751730
H -1.315445 -4.338380 -1.320356
H -1.090210 -3.986000 0.423401
H -2.663094 -3.644662 -0.360495
H -5.582636 1.107853 -0.181458
H -4.788815 -0.232066 -1.066201
H -4.352149 0.107437 0.642603
H 2.007972 3.501221 -2.661431
H 0.647202 2.315946 -2.428339
H 1.391261 3.132903 -1.004951


