%chk=000270114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270114

0 1
S -5.176264 -0.842559 -0.338841
O -5.511625 -1.244861 -1.692570
O -5.751713 -1.579935 0.776605
O 2.906282 -0.518630 0.180242
O 1.509203 0.481604 -1.338161
N -5.584287 0.837632 -0.222877
N 0.712883 -0.848996 0.444223
C -6.770218 1.247401 -1.029398
C -5.641794 1.384636 1.162766
C -8.109025 0.909092 -0.351062
C -6.947309 1.024894 1.892647
C -8.166549 1.471674 1.075842
C -3.462014 -0.818043 -0.126558
C -2.890001 -1.498588 0.955367
C -2.642932 -0.143584 -1.038746
C -1.510541 -1.504731 1.139480
C -1.258855 -0.132485 -0.875578
C -0.691696 -0.815390 0.215309
C 4.085340 0.102563 -0.479061
C 5.186553 -0.916600 -0.321733
C 4.323778 1.423484 0.210700
C 1.674919 -0.209201 -0.357428
C 6.250794 -0.904496 -1.236235
C 3.621220 2.551523 -0.244962
C 5.162107 -1.860866 0.713066
C 5.210992 1.545520 1.287718
C 7.284543 -1.835686 -1.110426
C 3.816424 3.791067 0.366617
C 6.196192 -2.794251 0.829386
C 5.404242 2.789669 1.896663
C 7.258080 -2.781964 -0.079970
C 4.710037 3.912333 1.436963
H -6.694272 2.345109 -1.199199
H -6.708894 0.764909 -2.033892
H -5.538840 2.491843 1.087614
H -4.760262 1.027810 1.736868
H -8.256764 -0.189843 -0.326275
H -8.944152 1.308776 -0.954996
H -6.962497 1.487312 2.894808
H -6.989408 -0.075928 2.059983
H -9.095486 1.135482 1.574177
H -8.216199 2.576739 1.043703
H -3.535136 -2.034558 1.665415
H -3.084757 0.383024 -1.892402
H -1.079001 -2.038357 1.982525
H -0.623959 0.399536 -1.592938
H 3.822693 0.246287 -1.558713
H 1.056347 -1.386375 1.248836
H 6.277015 -0.170671 -2.040822
H 2.912173 2.454481 -1.072255
H 4.330086 -1.866551 1.418447
H 5.754562 0.673412 1.653116
H 8.111981 -1.825472 -1.818691
H 3.270958 4.663745 0.010348
H 6.173362 -3.531473 1.630518
H 6.097363 2.881545 2.731329
H 8.063703 -3.508575 0.012402
H 4.862720 4.880371 1.911606


%chk=000270114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270114

0 1
S -5.296263 -0.921790 -0.202260
O -5.645147 -1.400071 -1.722513
O -5.845848 -1.780615 1.084665
O 2.968189 -0.546346 0.271097
O 1.575873 0.318305 -1.430361
N -5.748943 0.945065 -0.160878
N 0.738118 -0.741366 0.520091
C -6.945153 1.200891 -1.019753
C -5.886677 1.426783 1.249315
C -8.303006 0.863245 -0.362894
C -7.238087 1.100807 1.930320
C -8.423463 1.523242 1.030469
C -3.433710 -0.806642 0.010263
C -2.876071 -1.338015 1.184447
C -2.657964 -0.252108 -1.020852
C -1.476830 -1.299622 1.329449
C -1.257663 -0.212014 -0.873430
C -0.661717 -0.738165 0.307561
C 4.178092 0.033579 -0.420770
C 5.312079 -0.979585 -0.285926
C 4.448824 1.416677 0.159731
C 1.729180 -0.259406 -0.326389
C 6.634267 -0.577296 -0.608816
C 3.999710 2.565556 -0.537524
C 5.073692 -2.327863 0.072899
C 5.101305 1.573515 1.408978
C 7.695631 -1.506850 -0.573737
C 4.203861 3.855161 0.002656
C 6.138798 -3.256595 0.115413
C 5.300519 2.860495 1.951813
C 7.452837 -2.851904 -0.209538
C 4.854087 4.005378 1.248954
H -6.889195 2.282791 -1.260828
H -6.802123 0.638056 -1.958920
H -5.748358 2.526083 1.182079
H -5.037200 1.030270 1.835531
H -8.396444 -0.236324 -0.268212
H -9.118428 1.202431 -1.030180
H -7.280643 1.624623 2.904840
H -7.285063 0.014381 2.130308
H -9.381655 1.243799 1.506340
H -8.430369 2.627953 0.915620
H -3.525037 -1.783262 1.945450
H -3.132997 0.137305 -1.926110
H -1.015469 -1.711077 2.235185
H -0.625182 0.215865 -1.653145
H 3.895896 0.140485 -1.486605
H 1.083617 -1.148615 1.392238
H 6.832753 0.464731 -0.885062
H 3.478170 2.444008 -1.494085
H 4.057145 -2.643713 0.322779
H 5.454119 0.687068 1.948095
H 8.710444 -1.181511 -0.828476
H 3.855558 4.737886 -0.544737
H 5.939947 -4.296292 0.399003
H 5.804395 2.973927 2.918186
H 8.276928 -3.573317 -0.179835
H 5.012774 5.004804 1.669561


