%chk=000291470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291470

0 1
S -2.156970 1.389426 -0.112289
O -3.151887 2.108225 0.658059
O -1.721998 1.877278 -1.399680
N -0.809907 1.338477 0.959812
N 4.379495 -0.551774 -0.369839
C 0.505390 0.912576 0.626116
C 3.094221 -0.013460 0.041594
C -2.622317 -0.266871 -0.255918
C 0.946360 0.850224 -0.711029
C 1.375767 0.534314 1.668659
C 2.224044 0.380880 -0.995957
C 2.661607 0.082279 1.374384
C -3.672886 -0.757067 0.528075
C -1.963862 -1.112386 -1.154150
C 5.333471 0.538297 -0.740328
C 4.991314 -1.483631 0.620464
C -4.060354 -2.095210 0.419691
C -2.349420 -2.452166 -1.262867
C -3.396244 -2.942363 -0.475042
H -0.924388 1.704265 1.913308
H 0.310564 1.202252 -1.531104
H 1.051496 0.592320 2.704697
H 2.559458 0.315225 -2.032379
H 3.324070 -0.195903 2.192154
H -4.198746 -0.090474 1.221967
H -1.148918 -0.731321 -1.779212
H 4.870395 1.188036 -1.500699
H 6.228620 0.086065 -1.196152
H 5.649752 1.170273 0.102666
H 5.844472 -1.987837 0.136019
H 4.260328 -2.265623 0.884162
H 5.352041 -1.011992 1.546050
H -4.878599 -2.476746 1.028734
H -1.834544 -3.111141 -1.960984
H -3.697325 -3.987550 -0.559481


%chk=000291470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291470

0 1
S -2.105595 1.335164 -0.460244
O -3.442994 2.257302 -0.260539
O -1.215729 1.386604 -1.839260
N -0.631034 1.825741 1.130063
N 4.476658 -0.253081 -0.160699
C 0.597385 1.241577 0.823814
C 3.207794 0.225421 0.150827
C -2.682991 -0.475209 -0.292484
C 1.397270 1.865120 -0.191049
C 1.124853 0.067317 1.459680
C 2.660282 1.371716 -0.522309
C 2.401855 -0.412486 1.157728
C -3.877071 -0.726369 0.406023
C -1.891697 -1.484759 -0.868225
C 5.276691 0.398534 -1.210755
C 5.028226 -1.416688 0.551348
C -4.295033 -2.071430 0.536771
C -2.324231 -2.824163 -0.723875
C -3.517740 -3.115054 -0.020752
H -1.100981 1.344495 1.929142
H 0.987960 2.742475 -0.699027
H 0.518618 -0.447697 2.216569
H 3.233420 1.877337 -1.303398
H 2.778657 -1.289692 1.690273
H -4.469667 0.106866 0.798939
H -0.990684 -1.223063 -1.432730
H 4.758737 0.375661 -2.189449
H 6.235904 -0.129969 -1.320701
H 5.494674 1.455512 -0.960707
H 6.047562 -1.617887 0.188272
H 4.419761 -2.327617 0.383591
H 5.084949 -1.235574 1.642788
H -5.227379 -2.300553 1.064063
H -1.735039 -3.634365 -1.166927
H -3.848890 -4.154288 0.082741


