%chk=000219064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219064

0 1
S -4.353680 0.217507 1.666222
S 4.669561 -0.718337 1.804791
S -1.776040 2.992384 -0.032425
S 2.272246 -3.351201 0.548963
O 0.049728 -0.040899 2.095667
N -0.897033 0.451348 0.052020
N 0.923826 -1.092520 0.221007
N -3.834455 0.717594 -0.847259
N 3.692336 -0.500060 -0.612673
C -1.928289 1.295175 0.656125
C 2.088444 -1.568111 0.980980
C -3.297598 0.794751 0.342976
C 3.378997 -0.940918 0.576305
C -5.608048 -0.142845 0.509981
C 5.693005 0.013000 0.597810
C -5.151555 0.187776 -0.795861
C 5.002257 0.048794 -0.644884
C 0.039324 -0.193602 0.883227
C -6.879695 -0.668825 0.723071
C 6.986358 0.512635 0.724150
C -5.986253 -0.014830 -1.908221
C 5.620717 0.596987 -1.781196
C -7.698314 -0.864989 -0.388702
C 7.589373 1.054255 -0.411029
C -7.255088 -0.541458 -1.687424
C 6.913434 1.094858 -1.647240
H -1.745883 1.386428 1.772916
H 1.896470 -1.451662 2.090487
H -0.975726 0.251690 -0.943865
H 1.084121 -0.992166 -0.789836
H -7.225034 -0.919314 1.724992
H 7.511232 0.482784 1.677656
H -5.634888 0.238990 -2.907639
H 5.089723 0.622664 -2.732180
H -8.699563 -1.275261 -0.256246
H 8.601121 1.454536 -0.345524
H -7.924130 -0.708795 -2.532340
H 7.417526 1.525813 -2.512903
H -2.363129 2.800283 -1.237234
H 1.009703 -3.740858 0.838635


%chk=000219064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219064

0 1
S -5.219875 -0.340030 1.608212
S 5.263960 -0.616608 1.508647
S -2.643204 2.163183 2.757684
S 2.420274 -2.546015 2.372393
O -0.049408 -0.439543 3.256855
N -1.159348 0.200924 1.297538
N 1.148953 -0.233390 1.265259
N -3.421189 0.285839 -0.291487
N 3.360637 -0.007870 -0.290784
C -2.414911 0.383305 1.968570
C 2.377305 -0.651473 1.890994
C -3.547052 0.144270 1.014456
C 3.524343 -0.390446 0.960497
C -5.730763 -0.333122 -0.132820
C 5.750405 -0.104569 -0.163071
C -4.626509 0.027501 -0.974599
C 4.589360 0.166268 -0.959446
C -0.020582 -0.169652 2.013505
C -7.000157 -0.623901 -0.668145
C 7.050073 0.021814 -0.689760
C -4.804179 0.094875 -2.376522
C 4.738791 0.572264 -2.306267
C -7.159248 -0.551526 -2.070402
C 7.181033 0.428312 -2.036660
C -6.072312 -0.195980 -2.915042
C 6.037060 0.700191 -2.836062
H -2.453656 -0.247364 2.870434
H 2.499221 -0.153330 2.865667
H -1.150249 0.385328 0.290104
H 1.188050 -0.088450 0.250533
H -7.842603 -0.898118 -0.026361
H 7.936153 -0.186775 -0.082956
H -3.957486 0.369125 -3.012542
H 3.848509 0.777288 -2.907897
H -8.137281 -0.773519 -2.510224
H 8.181639 0.534122 -2.469025
H -6.225061 -0.148344 -3.998217
H 6.169327 1.012801 -3.877052
H -2.779549 2.802283 1.534215
H 1.444630 -2.356068 3.343077


