%chk=000262419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262419

0 1
S 2.146492 1.765050 -0.051757
O -3.619549 2.449802 -0.278011
O -4.190811 -2.110930 0.208735
N -0.573977 1.910048 -0.143135
N -2.018107 -1.355009 0.178564
N 0.226440 -0.229082 0.110992
N -3.909320 0.175290 -0.036115
C 3.250243 0.292757 0.113126
C 3.377108 -0.393254 -1.242975
C 4.574039 0.867184 0.616415
C 4.438952 -1.502647 -1.170592
C 5.626942 -0.252368 0.686667
C 5.782936 -0.958549 -0.667146
C 0.543195 1.100591 -0.025957
C -1.690216 1.053404 -0.076674
C -1.166529 -0.260218 0.080468
C -3.098120 1.361750 -0.145628
C -3.436783 -1.160619 0.122933
C -1.467711 -2.721348 0.347521
C -5.390246 0.326633 -0.089482
H 2.806809 -0.406626 0.863438
H 3.651490 0.332363 -2.033906
H 2.401758 -0.826989 -1.547152
H 4.452189 1.327800 1.616789
H 4.943122 1.671320 -0.052583
H 4.565840 -1.960798 -2.169500
H 4.087574 -2.315076 -0.505176
H 5.342028 -0.987627 1.464150
H 6.597390 0.171224 1.007354
H 6.514445 -1.783666 -0.579063
H 6.204117 -0.254769 -1.410893
H -0.630531 2.909628 -0.251505
H -2.292049 -3.457991 0.412154
H -0.863586 -2.778602 1.270419
H -0.821918 -2.981489 -0.509799
H -5.655405 1.393857 -0.213995
H -5.849156 -0.049582 0.841153
H -5.805091 -0.246161 -0.936831


%chk=000262419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262419

0 1
S 2.158894 2.005604 0.091659
O -3.687435 2.443830 -0.422340
O -4.057641 -2.219893 0.240362
N -0.622340 1.994712 -0.134670
N -1.900045 -1.296114 0.266589
N 0.258855 -0.074437 0.237719
N -3.850175 0.092828 -0.085721
C 3.241302 0.409245 0.112332
C 3.316181 -0.221818 -1.289157
C 4.627967 0.797263 0.658699
C 4.240365 -1.467820 -1.258054
C 5.550692 -0.450604 0.679362
C 5.645323 -1.113589 -0.715567
C 0.531185 1.249252 0.059148
C -1.705175 1.103796 -0.075127
C -1.126740 -0.152193 0.152371
C -3.115654 1.329480 -0.213406
C -3.311588 -1.203298 0.149253
C -1.273080 -2.608303 0.512056
C -5.324778 0.154322 -0.207248
H 2.710407 -0.264449 0.807962
H 3.718848 0.521860 -2.004971
H 2.303046 -0.502468 -1.627780
H 4.536432 1.224559 1.674513
H 5.081641 1.574835 0.010869
H 4.313582 -1.896337 -2.275715
H 3.782824 -2.246839 -0.614442
H 5.152618 -1.185788 1.408283
H 6.555371 -0.156344 1.038107
H 6.276199 -2.021506 -0.662698
H 6.143894 -0.415545 -1.419433
H -0.697871 2.998619 -0.296691
H -2.077666 -3.356357 0.559629
H -0.714628 -2.589886 1.463170
H -0.573711 -2.853445 -0.305024
H -5.593605 1.205712 -0.386431
H -5.796724 -0.213671 0.718408
H -5.662765 -0.479911 -1.043011


