%chk=000270719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270719

0 1
S 0.328866 0.457855 -1.988111
O 2.756618 0.589939 -0.976708
O 2.525857 0.816100 1.281424
N -1.554900 0.726708 -0.250507
N -0.444039 0.806263 0.528069
N -2.570790 0.480237 -2.267214
N -3.520134 0.627790 -1.300135
C -1.368534 0.532963 -1.683610
C -2.974102 0.779770 -0.068408
C 0.620955 0.683161 -0.233787
C -3.635899 0.965131 1.227676
C 2.037096 0.709478 0.190017
C 4.222135 0.545731 -0.881832
C 4.664112 -0.810973 -0.383685
H -4.736122 0.975644 1.115087
H -3.384260 0.156478 1.936092
H -3.343785 1.916915 1.705062
H 4.493241 0.739166 -1.937067
H 4.551565 1.374232 -0.230046
H 5.752861 -0.929860 -0.458357
H 4.392019 -0.963613 0.672052
H 4.203140 -1.626215 -0.957812


%chk=000270719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270719

0 1
S 0.172957 0.411002 -2.245069
O 2.820774 0.544621 -1.062441
O 2.338073 0.891400 1.207410
N -1.635928 0.720201 -0.357634
N -0.467790 0.807948 0.377812
N -2.777151 0.454663 -2.301988
N -3.700433 0.633324 -1.191266
C -1.560439 0.513640 -1.756708
C -2.996709 0.788779 -0.043446
C 0.562890 0.669396 -0.447228
C -3.549379 0.997675 1.324563
C 1.973608 0.716659 0.025703
C 4.294046 0.541522 -0.774514
C 4.754590 -0.850251 -0.336328
H -4.647976 1.009555 1.261396
H -3.239486 0.190561 2.012193
H -3.205519 1.954436 1.756512
H 4.737146 0.847777 -1.734617
H 4.493542 1.300927 0.001642
H 5.853974 -0.851952 -0.220554
H 4.307899 -1.128524 0.632369
H 4.487212 -1.610458 -1.089609


