%chk=000257337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257337

0 1
S 2.295096 0.643405 -0.191509
O 2.318460 1.288783 1.114304
O 2.969901 1.289634 -1.300825
O -2.982762 2.039827 -1.435132
O -3.412138 -1.173169 0.172780
N 0.651308 0.410796 -0.689217
N -3.626074 1.474821 0.680708
N -4.741607 0.756337 0.203363
N -5.465243 -1.293688 -0.851025
C -1.320145 2.384984 0.327139
C -0.709369 1.298032 1.228493
C -0.340979 2.735619 -0.809243
C -0.298982 0.065217 0.402919
C 0.111249 1.479117 -1.575632
C -2.651379 1.939534 -0.271027
C 2.862359 -0.982327 -0.004984
C 2.915168 -1.839147 -1.107726
C 3.284065 -1.425692 1.253003
C 3.386395 -3.147296 -0.951659
C 3.755769 -2.731526 1.410082
C 3.805816 -3.591369 0.306441
C -4.451276 -0.625894 -0.161960
H -1.511559 3.305483 0.937385
H -1.393962 1.004321 2.043064
H 0.192396 1.718401 1.739119
H 0.533604 3.269394 -0.386494
H -0.819101 3.441113 -1.519411
H 0.148428 -0.712904 1.057747
H -1.201289 -0.413155 -0.058595
H -0.754816 1.049926 -2.135765
H 0.879806 1.746251 -2.339046
H -3.291354 1.086923 1.577725
H 2.590641 -1.493710 -2.094078
H 3.247750 -0.747596 2.114406
H -5.239373 1.312627 -0.519113
H 3.427257 -3.816448 -1.809705
H 4.085825 -3.077967 2.388069
H 4.174328 -4.610672 0.428305
H -6.398331 -0.922421 -0.922072
H -5.392578 -2.300964 -0.925433


%chk=000257337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257337

0 1
S 2.401906 0.691606 -0.063323
O 2.412568 1.285102 1.469968
O 3.178075 1.491779 -1.254977
O -2.888213 1.509703 -1.649525
O -3.817631 -1.055028 0.565363
N 0.649263 0.318231 -0.777239
N -3.804521 1.693512 0.474341
N -4.948573 0.964973 0.130039
N -5.915184 -1.098392 -0.466202
C -1.418824 2.266870 0.216138
C -0.825981 1.157692 1.143558
C -0.372599 2.675455 -0.850663
C -0.296694 -0.042010 0.323278
C 0.189745 1.458203 -1.623329
C -2.731293 1.792137 -0.428248
C 3.072592 -1.071770 0.046020
C 3.317939 -1.767893 -1.148856
C 3.342215 -1.585293 1.323882
C 3.857544 -3.070501 -1.046723
C 3.882963 -2.890643 1.404856
C 4.135818 -3.628343 0.224892
C -4.820950 -0.453812 0.088617
H -1.655532 3.149711 0.845273
H -1.583597 0.780154 1.855250
H 0.006997 1.594061 1.723679
H 0.458000 3.206458 -0.347341
H -0.822878 3.372015 -1.581295
H 0.198676 -0.773955 0.986481
H -1.137405 -0.571218 -0.167483
H -0.600368 1.031641 -2.268885
H 1.039161 1.761564 -2.259855
H -3.648362 1.821926 1.476211
H 3.099754 -1.309571 -2.117921
H 3.149553 -0.973505 2.211618
H -5.573240 1.438156 -0.528026
H 4.060631 -3.645457 -1.956235
H 4.107319 -3.324606 2.384853
H 4.555094 -4.638045 0.294663
H -6.736030 -0.612484 -0.820662
H -5.884632 -2.113821 -0.506792


