%chk=000198503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198503

0 1
S 0.319154 0.335274 2.398738
S 3.783079 -1.191563 2.160567
S -5.774694 -0.544419 -2.046335
P 2.737320 -0.366317 0.802246
O 1.862530 -1.506907 -0.014155
O 3.566205 0.415654 -0.397359
O -2.705508 -0.970308 0.329512
O -1.890346 1.204826 0.610177
N 1.555381 0.803294 1.329347
N -0.879212 -0.615689 1.645547
N -3.590396 -0.413510 -0.616445
C 1.396647 2.160437 0.708443
C 0.902486 2.083101 -0.739268
C 2.704082 2.954173 0.821412
C 1.534171 -1.278642 -1.411457
C 5.020264 0.227634 -0.414150
C 2.598202 -1.924929 -2.280140
C 5.442190 0.988925 -1.657294
C -0.701882 -2.082551 1.628408
C -1.819383 0.023438 0.825297
C -4.637906 -1.144856 -0.828273
C -5.062122 -2.434781 -0.231302
C -5.135581 1.058879 -2.556822
H 0.608060 2.700754 1.311572
H -0.127728 1.694633 -0.779265
H 1.537730 1.456538 -1.382568
H 0.877140 3.079988 -1.194342
H 3.463045 2.617160 0.102080
H 2.523319 4.016724 0.623980
H 3.139257 2.880596 1.825973
H 0.555503 -1.793580 -1.496061
H 1.407349 -0.197335 -1.633057
H 5.453876 0.661249 0.508206
H 5.258680 -0.850996 -0.483159
H 2.916310 -2.887893 -1.852961
H 3.495598 -1.298766 -2.366787
H 2.226305 -2.119018 -3.292360
H 6.528249 0.941575 -1.801568
H 4.960583 0.587284 -2.558567
H 5.154309 2.047464 -1.594974
H -0.005216 -2.399862 0.826060
H -0.277336 -2.421956 2.590915
H -1.667339 -2.596187 1.480988
H -5.002346 -3.259729 -0.959752
H -6.099169 -2.401611 0.140665
H -4.422591 -2.710819 0.625228
H -5.865971 1.514366 -3.237199
H -4.982676 1.733184 -1.700270
H -4.170823 0.970478 -3.074070


%chk=000198503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198503

0 1
S 0.374065 0.219836 2.327070
S 4.091120 -0.818647 2.552993
S -6.113819 -0.492202 -2.008833
P 2.940418 -0.314801 0.921309
O 2.269818 -1.764815 0.215310
O 3.756757 0.489786 -0.399890
O -2.837813 -0.931760 0.261429
O -1.821731 1.213037 0.474712
N 1.558776 0.770605 1.121427
N -0.862218 -0.733048 1.405892
N -3.802792 -0.257315 -0.667759
C 1.408449 2.173596 0.569364
C 1.188741 2.186887 -0.956125
C 2.562445 3.091465 1.026292
C 1.547729 -1.689641 -1.092864
C 5.233403 0.295245 -0.519889
C 2.476107 -2.072334 -2.246992
C 5.674716 1.120634 -1.725535
C -0.844442 -2.208163 1.535266
C -1.826571 -0.012776 0.696873
C -4.806524 -1.078660 -0.885221
C -5.020942 -2.461646 -0.320811
C -5.483496 1.227501 -2.451336
H 0.470065 2.514644 1.044131
H 0.289932 1.602192 -1.216850
H 2.069749 1.791586 -1.488512
H 1.017040 3.227796 -1.288061
H 3.511527 2.808798 0.540435
H 2.330616 4.136415 0.749553
H 2.693782 3.042182 2.121579
H 0.724514 -2.415791 -0.979160
H 1.114057 -0.680875 -1.226973
H 5.712683 0.632314 0.417911
H 5.446746 -0.782050 -0.655200
H 2.941812 -3.055045 -2.058977
H 3.271263 -1.319073 -2.376880
H 1.898349 -2.136241 -3.188896
H 6.767682 1.022742 -1.861648
H 5.176939 0.774299 -2.647673
H 5.435981 2.188001 -1.579314
H -1.307745 -2.660158 0.643858
H 0.203706 -2.539507 1.612245
H -1.405361 -2.540813 2.427739
H -4.256684 -3.156488 -0.714058
H -6.019409 -2.850213 -0.577215
H -4.908854 -2.440356 0.777286
H -6.251151 1.660821 -3.110304
H -5.363745 1.821403 -1.534574
H -4.516889 1.146035 -2.967724


