%chk=000257498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257498

0 1
S 2.422690 -0.447131 -0.873364
O 2.450669 -1.813609 -0.384603
O 2.901551 -0.121964 -2.200040
N 3.347350 0.498679 0.233851
C 0.797903 0.138011 -0.722901
C 3.047840 0.281594 1.666749
C 3.545372 1.916934 -0.139774
C -1.578678 -0.166164 -0.073071
C -0.179011 -0.608931 -0.206126
C -2.318493 -0.563010 1.055330
C -2.187805 0.629711 -1.056534
C -3.645035 -0.153203 1.201467
C -3.519242 1.028647 -0.909217
C -4.247445 0.641861 0.219720
H 0.611450 1.143235 -1.104323
H 3.858865 0.708574 2.283538
H 3.035242 -0.806618 1.875544
H 2.097229 0.724402 2.002933
H 2.668512 2.559167 0.035213
H 3.832528 1.978629 -1.208734
H 4.391874 2.334102 0.435114
H 0.019714 -1.628911 0.166554
H -1.857047 -1.187664 1.819548
H -1.625467 0.926659 -1.942060
H -4.213680 -0.456920 2.079668
H -3.989406 1.641750 -1.677352
H -5.284182 0.955973 0.334168


%chk=000257498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257498

0 1
S 2.473441 -0.600355 -0.745814
O 2.381653 -1.994486 0.091525
O 3.081654 -0.493452 -2.250592
N 3.572889 0.523889 0.308512
C 0.733901 0.117573 -0.814142
C 3.114984 0.552749 1.714128
C 3.783540 1.838413 -0.337097
C -1.656418 -0.102023 -0.006147
C -0.234457 -0.478396 -0.074856
C -2.513667 -0.863091 0.837926
C -2.210920 0.981546 -0.746455
C -3.885179 -0.551407 0.943541
C -3.580141 1.291388 -0.640170
C -4.422930 0.527543 0.205149
H 0.669247 0.957066 -1.510628
H 3.955685 0.927498 2.325825
H 2.892679 -0.477582 2.037927
H 2.229909 1.205329 1.890487
H 2.948449 2.559284 -0.184776
H 3.956812 1.682858 -1.415359
H 4.702943 2.274666 0.094225
H 0.076139 -1.349941 0.524297
H -2.097163 -1.702249 1.408051
H -1.572864 1.577763 -1.408259
H -4.532012 -1.147364 1.596095
H -3.996965 2.125021 -1.215736
H -5.487911 0.771566 0.283644


