%chk=000215977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215977

0 1
S 5.193055 0.365703 2.088246
O -2.396822 -0.060577 -0.871833
O -2.735809 0.106217 1.984225
O 6.923547 -0.137518 -1.329324
O -4.751397 -0.884976 -2.397927
N 1.118695 0.464219 0.052913
N 4.819823 0.115304 -0.492963
C 3.965496 0.309720 0.690456
C 3.215174 1.642659 0.662067
C 3.018911 -0.867063 0.933831
C 2.025910 1.601284 -0.311850
C 1.835319 -0.849642 -0.047070
C -0.117628 0.470418 -0.788723
C -1.257603 -0.137308 0.047148
C 6.672297 0.143262 1.070586
C 6.212709 0.022673 -0.358877
C -1.577404 0.670525 1.307113
C -3.610271 -0.354091 -0.249457
C -3.774211 -0.246667 1.147843
C -4.712069 -0.746517 -1.035192
C -4.994336 -0.539575 1.768277
C -5.946191 -1.031505 -0.416193
C -6.071239 -0.931860 0.968548
C -3.529158 -0.634536 -3.139256
H 3.891263 2.477819 0.389586
H 2.839776 1.878305 1.682627
H 2.628437 -0.820274 1.974684
H 3.553636 -1.835055 0.856733
H 2.389186 1.549637 -1.360600
H 1.447557 2.547848 -0.216958
H 1.120065 -1.655662 0.231908
H 2.185651 -1.077009 -1.076957
H -0.393584 1.510028 -1.076136
H -0.023231 -0.088071 -1.745427
H 4.388672 0.045583 -1.411265
H -1.098473 -1.211104 0.284106
H 7.233150 -0.761175 1.384878
H 7.366665 0.999952 1.193614
H -0.785647 0.595154 2.076232
H -1.804189 1.727559 1.087285
H -5.084581 -0.455708 2.847534
H -6.785980 -1.330780 -1.039742
H -7.029242 -1.161411 1.437303
H -2.761617 -1.356633 -2.845032
H -3.188564 0.392110 -2.964747
H -3.857850 -0.784665 -4.173517


%chk=000215977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215977

0 1
S 5.377649 0.342837 2.202399
O -2.342000 -0.221687 -0.871766
O -2.786488 0.347850 1.957855
O 6.960443 -0.372280 -1.403500
O -4.506168 -1.378016 -2.370316
N 1.207479 0.492711 0.055672
N 4.864131 -0.020731 -0.416519
C 4.062965 0.269664 0.783036
C 3.333904 1.629085 0.680513
C 3.042041 -0.850160 1.087692
C 2.159681 1.565760 -0.322364
C 1.872474 -0.833895 0.078021
C -0.043062 0.499670 -0.739312
C -1.225081 -0.028958 0.088077
C 6.815495 0.060005 1.018553
C 6.244982 -0.135690 -0.391831
C -1.673245 0.937942 1.188097
C -3.587715 -0.477824 -0.239721
C -3.794399 -0.224536 1.144585
C -4.642472 -1.041573 -1.010525
C -5.011687 -0.567058 1.767699
C -5.862584 -1.378286 -0.382623
C -6.039238 -1.154618 1.001209
C -4.032519 -0.322042 -3.288119
H 4.052494 2.413446 0.384485
H 2.934397 1.888294 1.678026
H 2.637762 -0.689809 2.103839
H 3.552120 -1.829140 1.072893
H 2.555656 1.420520 -1.363008
H 1.625552 2.532884 -0.316210
H 1.137448 -1.605858 0.366081
H 2.242965 -1.114523 -0.944646
H -0.266243 1.537302 -1.051429
H 0.031777 -0.110896 -1.670171
H 4.392934 -0.138967 -1.316814
H -0.991330 -1.012412 0.543599
H 7.377348 -0.840511 1.311599
H 7.492448 0.928828 1.021130
H -0.862459 1.114142 1.910460
H -2.003763 1.896497 0.738675
H -5.128832 -0.363991 2.836016
H -6.649189 -1.822103 -0.999452
H -6.985675 -1.426043 1.479476
H -3.008813 -0.001149 -3.033344
H -4.718970 0.546637 -3.262644
H -4.054314 -0.784719 -4.286672


