%chk=000299047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299047

0 1
S -4.433770 -1.349664 -1.344994
O 6.394198 -1.315261 0.017122
O -4.307822 0.400665 0.663715
N -6.396977 -0.026441 -0.073185
C 3.587035 0.905429 -0.286165
C 4.101133 -0.557035 -0.433173
C 2.058318 1.083172 -0.222673
C 1.371393 0.029049 0.676903
C 3.310159 -1.566633 0.425178
C 4.308846 1.465036 0.966056
C 1.798207 -1.398605 0.279904
C 1.442488 1.049339 -1.634052
C 5.527080 -0.493485 0.172878
C 5.670789 0.762032 1.014384
C 4.175361 -0.995925 -1.893037
C -0.136864 0.140550 0.617788
C -0.044042 1.415432 -1.589279
C -0.794724 0.764452 -0.460998
C -0.887861 -0.423325 1.663632
C -2.198586 0.819952 -0.485193
C -2.282456 -0.386805 1.654299
C -2.898359 0.241701 0.569999
C -5.079408 -0.302038 -0.231520
C -6.905403 0.911415 0.951546
C -7.392754 -0.719672 -0.923497
H 3.955527 1.484371 -1.170529
H 1.850692 2.091820 0.217730
H 1.702063 0.216696 1.730454
H 3.590085 -1.454435 1.492064
H 3.605403 -2.598045 0.146657
H 3.729338 1.254375 1.882501
H 4.414448 2.560059 0.910230
H 1.480830 -1.611727 -0.760026
H 1.273188 -2.142912 0.908384
H 1.572603 0.038063 -2.072836
H 1.976676 1.743474 -2.308622
H 5.983194 0.511699 2.043565
H 6.481649 1.396156 0.609784
H 4.739385 -0.288321 -2.510196
H 4.676030 -1.970103 -1.986950
H 3.172200 -1.092274 -2.327513
H -0.516955 1.147998 -2.558585
H -0.157466 2.517608 -1.497336
H -0.376087 -0.906865 2.496114
H -2.731317 1.282375 -1.314026
H -2.873849 -0.831644 2.449409
H -7.503620 1.710678 0.481403
H -6.070905 1.392557 1.499401
H -7.531389 0.381272 1.689863
H -7.199560 -0.514792 -1.995491
H -8.414033 -0.390762 -0.681677
H -7.331911 -1.817455 -0.785109


%chk=000299047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299047

0 1
S -4.653961 -1.282706 -1.656546
O 6.531158 -1.269556 -0.015531
O -4.378394 0.208007 0.663026
N -6.511843 0.011459 -0.121539
C 3.619927 0.908750 -0.298316
C 4.185524 -0.545516 -0.428891
C 2.074031 1.058912 -0.255428
C 1.397643 0.022400 0.688228
C 3.432032 -1.521481 0.543582
C 4.338080 1.491220 0.961147
C 1.900725 -1.421763 0.391024
C 1.408468 1.020508 -1.654153
C 5.624400 -0.414620 0.131997
C 5.768021 0.907282 0.901612
C 4.219229 -1.125395 -1.859779
C -0.130344 0.097788 0.631633
C -0.070459 1.447883 -1.559006
C -0.821668 0.735814 -0.437999
C -0.884485 -0.506586 1.670098
C -2.237891 0.743725 -0.446783
C -2.293285 -0.504281 1.663430
C -2.953475 0.123060 0.590227
C -5.202988 -0.325818 -0.352501
C -6.962358 0.832042 1.022146
C -7.548528 -0.494922 -1.041911
H 3.986204 1.483187 -1.177447
H 1.865855 2.070720 0.160168
H 1.703180 0.251325 1.731971
H 3.698619 -1.295838 1.596992
H 3.784428 -2.550942 0.345206
H 3.827846 1.162570 1.885864
H 4.327067 2.595177 0.956650
H 1.588034 -1.728287 -0.625413
H 1.412587 -2.129630 1.087794
H 1.473587 0.005968 -2.089691
H 1.946795 1.698949 -2.344123
H 6.253991 0.746281 1.879623
H 6.446345 1.558726 0.313870
H 4.576213 -0.373718 -2.587807
H 4.911995 -1.985807 -1.891605
H 3.223656 -1.469945 -2.188114
H -0.586535 1.271345 -2.521990
H -0.117549 2.542912 -1.379037
H -0.355580 -0.987218 2.502612
H -2.780513 1.224395 -1.267225
H -2.875610 -0.973039 2.461918
H -7.511006 1.720216 0.656652
H -6.094215 1.160181 1.606696
H -7.635490 0.243313 1.673834
H -7.338448 -0.174456 -2.077305
H -8.525925 -0.100075 -0.719762
H -7.572890 -1.599314 -1.035799


