%chk=000281399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281399

0 1
Cl 6.964099 3.502961 3.155175
S -5.049556 -1.571821 -0.532852
O -5.573620 -2.786243 0.056731
O -5.713249 -0.969781 -1.653945
O 4.968022 -0.834409 -1.683483
O 2.812315 -4.150344 -0.087493
N -5.169890 -0.496478 0.849828
N 3.782223 -0.596377 0.286766
N 1.643963 -1.826122 -1.037421
N 0.718597 -2.348502 -1.680603
N -5.038467 1.594925 1.970480
N -3.965165 1.248931 -0.211673
C -3.368629 -1.753430 -0.826357
C -2.646102 -2.734948 -0.133397
C -2.728137 -0.935812 -1.765117
C 3.014970 -2.189983 -1.474111
C -0.650910 -2.072234 -1.311679
C -1.282299 -2.900495 -0.365567
C -1.361571 -1.087299 -2.014300
C 4.013898 -1.119949 -0.984695
C -4.720634 0.817395 0.867212
C 3.455696 -3.576828 -0.925208
C 4.580835 0.403581 0.934511
C 4.156168 0.832872 2.211275
C 5.742782 0.938463 0.350583
C 4.712164 -4.090735 -1.538812
C -4.586793 2.877416 1.975951
C 4.897047 1.792825 2.897845
C 6.480569 1.900165 1.041845
C -3.823750 3.390202 0.901654
C 6.050509 2.315077 2.304272
C -3.538150 2.538807 -0.168703
C -4.932313 3.716439 3.156828
H -3.154581 -3.383118 0.592230
H -3.298532 -0.167572 -2.307200
H 3.109395 -2.222486 -2.601051
H -0.713701 -3.662322 0.169744
H -0.861135 -0.452721 -2.744228
H -5.722252 -0.791680 1.676157
H 2.927170 -0.879702 0.785581
H 3.257002 0.421737 2.667954
H 6.072496 0.608041 -0.641916
H 5.216464 -4.813168 -0.875719
H 5.442244 -3.298244 -1.779795
H 4.506974 -4.626031 -2.480174
H 4.581242 2.132182 3.885483
H 7.384046 2.322127 0.597803
H -3.475417 4.416631 0.910553
H -2.948723 2.875804 -1.031216
H -5.504626 3.153297 3.914799
H -5.549433 4.579717 2.864206
H -4.030457 4.105138 3.652051


%chk=000281399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281399

0 1
Cl 7.241662 2.057266 4.419184
S -4.508585 -1.604590 0.841794
O -4.482674 -2.615014 2.114788
O -5.636353 -1.723761 -0.310535
O 5.448880 -0.885017 -1.741749
O 3.217581 -4.382588 -1.193155
N -4.579920 0.032636 1.705016
N 4.079746 -0.896821 0.184751
N 2.002629 -1.893501 -1.070493
N 0.956502 -1.773324 -1.824719
N -5.364777 2.221067 1.866978
N -4.543283 1.337994 -0.268765
C -2.796424 -1.612684 0.046141
C -1.749894 -2.178632 0.796732
C -2.667022 -1.129163 -1.264586
C 3.260300 -2.000329 -1.839559
C -0.297122 -1.733233 -1.117527
C -0.475592 -2.234566 0.201866
C -1.389565 -1.209160 -1.855465
C 4.382754 -1.188174 -1.128667
C -4.848365 1.238139 1.061645
C 3.721882 -3.504230 -1.927854
C 4.863017 -0.195524 1.140482
C 4.310500 -0.023839 2.438166
C 6.151501 0.327673 0.848771
C 4.791044 -3.767954 -2.966731
C -5.587547 3.440010 1.289295
C 5.028905 0.659856 3.438536
C 6.870859 1.012813 1.850833
C -5.319601 3.642212 -0.093656
C 6.304830 1.171200 3.129820
C -4.802145 2.556020 -0.828129
C -6.139535 4.534708 2.170411
H -1.942895 -2.582083 1.795880
H -3.530036 -0.707779 -1.785523
H 3.158841 -1.615654 -2.873005
H 0.374538 -2.682119 0.724837
H -1.215913 -0.864884 -2.879237
H -4.899260 -0.070196 2.677363
H 3.139718 -1.221216 0.464827
H 3.317127 -0.425824 2.670742
H 6.575574 0.195974 -0.148308
H 5.238374 -4.760754 -2.805196
H 5.561861 -2.976769 -2.940825
H 4.333556 -3.741567 -3.975280
H 4.603671 0.790838 4.437307
H 7.863152 1.417451 1.632032
H -5.511605 4.605814 -0.571826
H -4.578262 2.649253 -1.896187
H -6.240794 4.169698 3.203466
H -7.131609 4.866258 1.811645
H -5.477430 5.419967 2.164472


