%chk=000275338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275338

0 1
S -2.917722 0.756954 1.001722
O 1.643942 1.464173 -0.802519
O -3.789195 0.509638 2.132669
O -3.374997 1.524452 -0.137686
N -1.609212 1.700885 1.696498
N -0.442387 1.704605 0.916006
N 0.796749 2.555293 -0.916475
C -2.240548 -0.733684 0.476449
C -1.451183 -0.793015 -0.678906
C -2.482691 -1.901587 1.211323
C -1.125268 -3.174798 -0.343894
C -0.893402 -2.004947 -1.086746
C -1.930095 -3.115762 0.808615
C -0.306627 2.645763 0.008800
C -1.226363 3.797893 -0.325195
C 2.990706 0.046979 0.476328
C 2.593364 1.487216 0.328993
C -0.528862 -4.468459 -0.786077
C -1.098806 4.908861 0.709212
C 1.997520 -0.922876 0.682090
C 4.339478 -0.331319 0.418711
C 2.354593 -2.264163 0.835430
C 4.690443 -1.674932 0.580880
C 3.701106 -2.641324 0.789233
H -1.259752 0.111202 -1.269242
H -3.114103 -1.862119 2.107842
H -0.270706 -2.038041 -1.980240
H -2.125001 -4.017860 1.384884
H -1.339602 1.458991 2.670581
H -1.050855 4.186393 -1.348786
H -2.282998 3.413883 -0.353031
H 2.098516 1.861291 1.243277
H 3.425752 2.151320 0.047599
H -0.529374 -5.233387 0.001725
H -1.090336 -4.885087 -1.637717
H 0.512519 -4.349055 -1.120996
H 1.339860 3.420779 -0.992385
H -1.336920 4.538483 1.717773
H -0.093391 5.339416 0.737482
H -1.803943 5.722141 0.494302
H 0.947699 -0.616272 0.709014
H 5.113616 0.413486 0.247587
H 1.581142 -3.014263 0.992663
H 5.737765 -1.968819 0.541566
H 3.979264 -3.685528 0.914639


%chk=000275338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275338

0 1
S -1.976377 -0.489612 1.899076
O 2.036980 0.822936 -0.179465
O -3.198637 0.596157 2.081085
O -0.727182 0.073845 0.447908
N -0.027903 1.426226 2.685223
N 0.378090 2.015283 1.621164
N 0.789590 1.474006 -0.665887
C -2.726466 -1.755985 0.722855
C -1.936362 -2.833148 0.271961
C -4.072350 -1.611054 0.345667
C -3.882796 -3.679226 -0.984649
C -2.523859 -3.790548 -0.581805
C -4.644120 -2.579816 -0.508295
C -0.264437 1.450927 0.368117
C -1.428573 2.398080 -0.050573
C 4.300198 1.235255 0.568876
C 3.088502 1.875853 -0.075729
C -4.496259 -4.709625 -1.915633
C -1.053267 3.886939 -0.187192
C 4.151444 0.329474 1.650349
C 5.602909 1.564443 0.119446
C 5.288620 -0.229148 2.273954
C 6.741781 1.015174 0.751582
C 6.587664 0.115962 1.831551
H -0.884000 -2.918354 0.563530
H -4.642050 -0.752633 0.720351
H -1.920733 -4.632172 -0.943167
H -5.694267 -2.482389 -0.807777
H 0.411112 1.904233 3.514090
H -1.811201 2.004145 -1.012271
H -2.235420 2.253496 0.693341
H 2.680724 2.700869 0.538733
H 3.326551 2.263890 -1.084426
H -5.590609 -4.590542 -1.988717
H -4.080885 -4.617775 -2.937557
H -4.287197 -5.739340 -1.572521
H 0.488278 0.892277 -1.468464
H -0.746471 4.317804 0.781421
H -0.217936 4.021137 -0.895523
H -1.922839 4.459911 -0.557197
H 3.143936 0.053715 1.978128
H 5.728698 2.251258 -0.726954
H 5.163575 -0.933857 3.104114
H 7.744040 1.280864 0.396799
H 7.469201 -0.316138 2.318482


