%chk=000212648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212648

0 1
S -0.904057 0.617534 -0.852014
O -0.640292 0.220272 -2.221970
O -0.720429 2.007172 -0.463029
N 0.110621 -0.339361 0.158743
C 2.607624 0.242232 -0.220480
C 3.846506 -0.728737 -0.400984
C 3.363981 -1.676143 0.761592
C 1.409893 -0.776016 -0.401951
C 2.707527 0.607895 1.293066
C 1.927518 -2.059846 0.320406
C 3.219659 -0.695829 1.958316
C 2.533538 1.438842 -1.136638
C 5.207219 -0.076872 -0.138688
C 3.927340 -1.413791 -1.768078
C -2.483868 0.118395 -0.373320
C -3.312577 1.003999 0.325497
C -2.947133 -1.161475 -0.695736
C -4.595185 0.612946 0.707239
C -4.229466 -1.560254 -0.316578
C -5.063434 -0.674107 0.387065
C -6.430640 -1.100928 0.804736
H 4.012745 -2.534105 0.962081
H 1.264889 -0.985760 -1.494354
H 1.744755 0.939511 1.706889
H 3.404286 1.446237 1.446903
H 1.925316 -2.924120 -0.359368
H 1.293725 -2.343104 1.174216
H 4.181966 -0.542453 2.468942
H 2.520597 -1.075440 2.716701
H 1.705128 2.112734 -0.864302
H 3.453418 2.032999 -1.101429
H 2.374965 1.146090 -2.182662
H 5.240271 0.490971 0.795990
H 5.467071 0.621293 -0.942648
H 5.998624 -0.832051 -0.085976
H 4.719784 -2.169618 -1.781530
H 4.150544 -0.684123 -2.555654
H 3.000938 -1.917029 -2.062163
H 0.212477 -0.031615 1.138030
H -2.953079 2.011878 0.569304
H -2.306856 -1.854974 -1.250613
H -5.234383 1.306364 1.250102
H -4.583478 -2.557564 -0.569656
H -6.404115 -1.569284 1.801282
H -7.134802 -0.259162 0.864695
H -6.870831 -1.836201 0.116524


%chk=000212648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212648

0 1
S -0.910189 0.690985 -0.843343
O -0.581761 0.144813 -2.344498
O -0.824556 2.283766 -0.474165
N 0.158060 -0.347014 0.316372
C 2.677681 0.251445 -0.185872
C 3.887720 -0.761926 -0.395933
C 3.462602 -1.665932 0.818113
C 1.462224 -0.752464 -0.266002
C 2.867869 0.651743 1.314043
C 1.991827 -2.039756 0.473990
C 3.413018 -0.652694 2.000039
C 2.579232 1.438646 -1.149800
C 5.284384 -0.112302 -0.239074
C 3.888532 -1.496065 -1.761386
C -2.634332 0.110658 -0.357381
C -3.409273 0.959957 0.446256
C -3.090721 -1.124135 -0.844447
C -4.712659 0.533605 0.787169
C -4.396380 -1.526348 -0.489743
C -5.220118 -0.712325 0.334350
C -6.610501 -1.173334 0.731843
H 4.111103 -2.540209 1.001493
H 1.248074 -0.971334 -1.327976
H 1.932493 1.021886 1.777352
H 3.583275 1.489469 1.394001
H 1.918758 -2.925360 -0.180680
H 1.398460 -2.253576 1.380341
H 4.413372 -0.490291 2.438745
H 2.755802 -1.013138 2.812234
H 1.733320 2.103264 -0.890173
H 3.500805 2.049920 -1.118169
H 2.419625 1.103970 -2.191281
H 5.395427 0.484391 0.681311
H 5.499758 0.552855 -1.096430
H 6.066309 -0.895537 -0.225287
H 4.745095 -2.194730 -1.811602
H 4.003842 -0.772359 -2.589893
H 2.975971 -2.082506 -1.957719
H 0.253173 0.239650 1.170063
H -3.012352 1.929243 0.765308
H -2.456925 -1.736808 -1.492868
H -5.343021 1.180460 1.408055
H -4.781453 -2.483567 -0.859718
H -6.571704 -1.793234 1.648551
H -7.277264 -0.319125 0.940886
H -7.076305 -1.787255 -0.058578


