%chk=000211712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211712

0 1
S -4.754736 1.400893 0.234580
S -2.229237 2.984776 0.380348
O -2.927945 -1.751462 -1.041246
O 4.288043 1.619269 0.483215
O 5.258293 -0.975641 -0.483438
N -2.452363 0.425408 -0.432489
C -4.784214 -0.330124 -0.343324
C -0.987139 0.258981 -0.667769
C -3.342511 -0.690680 -0.647638
C -0.262561 -0.136163 0.629026
C -5.385781 -1.241930 0.722442
C -2.998519 1.606314 0.043448
C 1.201451 -0.339014 0.351383
C -6.886264 -1.028263 0.880947
C 2.093762 0.732587 0.495241
C 1.670873 -1.593784 -0.068678
C 3.454974 0.537329 0.236888
C 3.030156 -1.796816 -0.314535
C 3.928007 -0.735352 -0.154523
C 5.080086 2.042099 -0.661372
C 6.163249 -0.879139 0.651857
H -5.383124 -0.385971 -1.289246
H -0.569429 1.208403 -1.078137
H -0.849781 -0.531020 -1.445309
H -0.408660 0.646006 1.405291
H -0.710103 -1.057884 1.055593
H -4.876900 -1.093854 1.698648
H -5.186528 -2.301953 0.440689
H -7.126820 -0.016600 1.232599
H -7.429108 -1.189359 -0.058163
H -7.303513 -1.727511 1.617864
H 1.749233 1.719103 0.805937
H 0.972929 -2.420246 -0.198301
H 3.407240 -2.769030 -0.630535
H 4.417482 2.500244 -1.400742
H 5.632198 1.198099 -1.091026
H 5.752829 2.782274 -0.215624
H 6.066328 0.097267 1.139737
H 7.143008 -1.000156 0.178313
H 5.955293 -1.694198 1.350048


%chk=000211712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211712

0 1
S -4.783175 1.525849 0.216985
S -2.087451 3.025437 0.350362
O -2.986293 -1.812691 -1.004682
O 4.334215 1.606026 0.497485
O 5.362742 -0.967636 -0.450798
N -2.456990 0.406817 -0.430572
C -4.810300 -0.298185 -0.340125
C -1.005059 0.199706 -0.655648
C -3.353762 -0.669628 -0.632141
C -0.275871 -0.258650 0.636736
C -5.457301 -1.233830 0.704965
C -2.971212 1.630345 0.021529
C 1.211497 -0.440593 0.374763
C -6.959907 -0.957378 0.905935
C 2.111185 0.639130 0.554219
C 1.717716 -1.674041 -0.110277
C 3.486156 0.494702 0.274997
C 3.095652 -1.833918 -0.371361
C 3.991555 -0.763175 -0.165358
C 5.003429 2.123468 -0.719521
C 6.263535 -0.827331 0.718343
H -5.378231 -0.336303 -1.287325
H -0.583644 1.154739 -1.011840
H -0.907630 -0.569359 -1.440491
H -0.440660 0.502421 1.420535
H -0.726724 -1.208609 0.978026
H -4.916750 -1.136405 1.665154
H -5.302457 -2.270432 0.347534
H -7.135132 0.066924 1.283637
H -7.518390 -1.073593 -0.041682
H -7.388616 -1.662790 1.639293
H 1.757942 1.613919 0.909471
H 1.034418 -2.517656 -0.264364
H 3.503802 -2.787173 -0.722482
H 4.249432 2.518019 -1.426818
H 5.600277 1.333560 -1.210142
H 5.653245 2.940552 -0.370934
H 6.162425 0.171754 1.179118
H 7.280346 -0.971357 0.322358
H 6.036184 -1.609731 1.467115


