%chk=000271654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271654

0 1
S 0.577272 -0.031318 -0.544677
O -1.499264 2.794995 0.673404
O 1.569997 2.761805 1.312623
O 1.993583 2.893756 -0.887164
N -1.344414 2.070621 -1.461192
C -0.919078 0.448905 0.404104
C 2.020253 0.714927 0.279724
C -0.686750 0.492908 1.917750
C 3.261523 0.174812 -0.427792
C -1.987214 -0.547010 0.016544
C 3.560703 -1.279894 -0.046143
C -1.262866 1.871456 -0.091489
C 4.852490 -1.770973 -0.715706
C -0.292733 -0.838948 2.538810
C 1.883786 2.204037 0.094861
C -3.323783 -0.117816 -0.074331
C -1.685907 -1.897712 -0.211860
C 5.161309 -3.218785 -0.343115
C -4.333105 -1.019044 -0.416818
C -2.701503 -2.795437 -0.559221
C -4.024234 -2.360322 -0.666880
H 2.034102 0.454936 1.370501
H -1.623234 0.865749 2.396846
H 0.064930 1.279072 2.162519
H 3.160051 0.272614 -1.531125
H 4.132979 0.815126 -0.166036
H 3.649095 -1.377099 1.053356
H 2.717417 -1.937032 -0.338906
H 4.765053 -1.679536 -1.816643
H 5.701619 -1.121577 -0.424774
H 0.608101 -1.268369 2.086831
H -1.093015 -1.584515 2.436866
H -0.097271 -0.721446 3.612212
H -3.585620 0.922399 0.128516
H -0.666586 -2.274723 -0.112749
H 4.358172 -3.897191 -0.653525
H 5.293721 -3.340338 0.738058
H 6.083557 -3.562753 -0.825740
H -5.364238 -0.674866 -0.487363
H -2.455715 -3.840387 -0.743463
H -1.459030 3.013449 -1.808578
H -1.033193 1.389965 -2.137080
H -4.811426 -3.060826 -0.939146
H 1.337263 3.730286 1.257993


%chk=000271654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271654

0 1
S 0.599185 -0.150371 -0.662724
O -2.011401 2.599979 0.797949
O 1.419303 2.933792 0.964653
O 2.249294 2.858100 -1.207894
N -1.084905 2.271923 -1.298984
C -0.962459 0.404692 0.369415
C 2.076184 0.779899 0.137075
C -0.681664 0.351088 1.900504
C 3.373158 0.194569 -0.463852
C -2.109907 -0.561274 -0.022625
C 3.678056 -1.248852 -0.007266
C -1.376831 1.863789 -0.019121
C 4.996939 -1.785057 -0.609279
C -0.277772 -1.028562 2.449916
C 1.945263 2.265953 -0.149576
C -3.455981 -0.127237 0.126815
C -1.875885 -1.896163 -0.443965
C 5.327006 -3.217968 -0.139297
C -4.530215 -0.998999 -0.153019
C -2.953399 -2.765468 -0.728810
C -4.286542 -2.322429 -0.586092
H 2.023228 0.604543 1.222943
H -1.612256 0.695341 2.388859
H 0.077612 1.115329 2.147464
H 3.326141 0.256074 -1.567779
H 4.208272 0.857013 -0.156496
H 3.742626 -1.279365 1.100608
H 2.842694 -1.918006 -0.292040
H 4.927396 -1.763314 -1.715760
H 5.829094 -1.104385 -0.336120
H 0.648526 -1.404716 1.976857
H -1.068615 -1.779460 2.278497
H -0.104097 -0.960716 3.539217
H -3.662322 0.892261 0.469623
H -0.849680 -2.262752 -0.548918
H 4.525374 -3.924366 -0.426127
H 5.432471 -3.260035 0.961260
H 6.271862 -3.581231 -0.583108
H -5.558903 -0.641282 -0.031508
H -2.746156 -3.790231 -1.057312
H -1.406064 3.190698 -1.602606
H -0.504459 1.695608 -1.912454
H -5.121709 -2.996687 -0.805978
H 1.258336 3.892177 0.747055


