%chk=000216034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216034

0 1
S -2.953550 0.255062 2.433184
O 0.418588 -0.110916 -2.373951
O 3.818517 0.730906 -2.953655
N 4.375732 0.017859 -0.201498
C -4.450288 -1.712597 0.201106
C -2.977621 -2.096446 0.416543
C -5.125159 -1.142272 1.455658
C -2.043034 -0.955130 0.132442
C -4.665333 0.262981 1.808789
C 2.805080 0.198907 -2.083312
C -1.982665 0.169404 0.977988
C 3.072984 0.611104 -0.620799
C 4.274973 -1.393998 0.288116
C -1.206416 -1.003584 -0.985664
C 1.511230 0.798781 -2.660825
C -0.325035 0.067182 -1.230623
C -1.115331 1.230026 0.716787
C -0.264884 1.188387 -0.391506
C 3.503212 -1.526714 1.610460
C 5.704089 -1.932566 0.436963
H -4.533630 -0.992812 -0.637440
H -5.008053 -2.613426 -0.125087
H -2.730585 -2.967435 -0.224899
H -2.822135 -2.454434 1.459103
H -6.224818 -1.131452 1.296343
H -4.962085 -1.826854 2.314254
H 2.802847 -0.910515 -2.196388
H -4.749681 0.949689 0.946826
H -5.280186 0.691843 2.624732
H 2.213989 0.307233 0.018289
H 3.146734 1.718401 -0.555057
H 3.742761 -1.987420 -0.502172
H -1.220615 -1.845243 -1.674177
H 1.539940 0.782677 -3.771266
H 1.298429 1.821732 -2.317827
H 4.809022 0.611023 0.513337
H -1.093655 2.101020 1.376596
H 0.402909 2.016808 -0.604040
H 3.446507 -2.573414 1.929547
H 3.978037 -0.969848 2.424365
H 2.473021 -1.164082 1.518105
H 6.275459 -1.791245 -0.489833
H 5.697757 -3.003741 0.663594
H 6.256600 -1.429633 1.237453
H 4.707543 0.591153 -2.543060


%chk=000216034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216034

0 1
S -3.460376 0.521435 2.485764
O 0.343592 -0.419180 -2.149700
O 3.869371 0.647260 -2.615715
N 4.442382 0.054665 -0.091634
C -4.943556 -1.574506 0.122370
C -3.483339 -1.988131 0.484384
C -5.707276 -0.806138 1.227330
C -2.426216 -0.920327 0.244463
C -5.140066 0.576333 1.588391
C 2.800806 -0.068126 -1.918922
C -2.327489 0.244371 1.061652
C 2.989197 0.171187 -0.392445
C 4.990159 -1.320380 0.122333
C -1.499819 -1.075020 -0.810098
C 1.479231 0.452262 -2.508788
C -0.480593 -0.119811 -1.053454
C -1.316788 1.197876 0.816681
C -0.381560 1.027033 -0.228930
C 4.501972 -1.972935 1.441599
C 6.529845 -1.255194 0.067157
H -4.935014 -0.981755 -0.813928
H -5.514853 -2.498592 -0.095798
H -3.217619 -2.881886 -0.110080
H -3.462871 -2.286549 1.552444
H -6.757141 -0.664013 0.893568
H -5.748542 -1.427405 2.143972
H 2.861063 -1.157830 -2.135524
H -5.007572 1.216121 0.699066
H -5.800541 1.098175 2.303473
H 2.346669 -0.516113 0.195248
H 2.687440 1.207568 -0.153127
H 4.635517 -1.934545 -0.728436
H -1.547800 -1.952717 -1.463680
H 1.546914 0.386293 -3.606904
H 1.300727 1.507796 -2.233153
H 4.739488 0.689507 0.661534
H -1.262867 2.090674 1.448237
H 0.383261 1.791414 -0.389736
H 4.860521 -3.015737 1.521620
H 4.887693 -1.413636 2.315927
H 3.398871 -1.991230 1.503578
H 6.868469 -0.834354 -0.895329
H 6.970137 -2.261061 0.188341
H 6.924341 -0.616220 0.881531
H 4.605433 0.659820 -1.917782


