%chk=000239794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239794

0 1
Cl 0.598712 -1.225690 -0.453992
S -4.598103 1.440392 0.273738
O 3.772939 2.662835 -0.781709
O -5.288794 2.464486 -0.490760
O -4.888803 1.284277 1.673265
O 2.988033 -2.480332 0.503880
N 1.225195 1.823272 -0.754565
N -5.140155 0.020575 -0.592230
N -3.581700 -1.371084 0.483295
C 2.216122 0.915695 -0.392440
C 4.691294 0.720027 0.246842
C 4.481249 -0.635660 0.563074
C -0.167391 1.698955 -0.481241
C -2.912765 1.559969 -0.002223
C 3.608949 1.544516 -0.344101
C 2.065344 -0.415174 -0.168768
C 3.156142 -1.297049 0.314000
C -1.068506 2.276560 -1.405129
C -0.635892 1.097870 0.700501
C -2.434514 2.195564 -1.157225
C -2.011430 1.024743 0.926552
C 5.940077 1.307265 0.479408
C 5.520212 -1.390119 1.111398
C 6.977998 0.546087 1.034573
C 6.768939 -0.796626 1.349363
C -4.655470 -1.273816 -0.372037
C -5.223555 -2.404861 -1.014091
C -4.664143 -3.652295 -0.757391
C -3.063324 -2.606202 0.708551
C -3.570442 -3.767465 0.111575
H 1.538736 2.676931 -1.239555
H -3.141646 2.636780 -1.871185
H -2.385992 0.545119 1.842479
H -0.705425 2.760296 -2.309333
H 0.057208 0.699165 1.440504
H 6.098367 2.359627 0.223779
H 5.350514 -2.445831 1.349855
H -5.941520 0.109455 -1.231093
H 7.949224 1.008324 1.217220
H 7.576088 -1.391678 1.780223
H -6.071677 -2.298844 -1.681596
H -5.077597 -4.543009 -1.233071
H -2.208222 -2.641459 1.395847
H -3.124774 -4.735089 0.319411


%chk=000239794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239794

0 1
Cl 1.188395 -1.617918 -0.647344
S -4.555983 1.379505 0.132896
O 3.751774 2.874543 -0.433644
O -5.182821 2.637822 -0.692547
O -4.882830 1.167018 1.704733
O 3.780060 -2.530749 0.507445
N 1.453947 1.635725 -0.659249
N -5.181260 -0.026852 -0.916538
N -4.101563 -1.689845 0.354871
C 2.511557 0.827100 -0.287444
C 5.009356 0.955575 0.338194
C 4.989121 -0.442124 0.600653
C 0.054661 1.487239 -0.480774
C -2.698587 1.380770 -0.128023
C 3.787842 1.635354 -0.139014
C 2.563797 -0.556811 -0.148188
C 3.761070 -1.270541 0.334986
C -0.801380 2.226541 -1.342843
C -0.494404 0.714367 0.579642
C -2.196931 2.180905 -1.167320
C -1.889395 0.650502 0.754929
C 6.192934 1.704521 0.552817
C 6.154454 -1.078875 1.081978
C 7.351535 1.063192 1.036404
C 7.330668 -0.328482 1.302534
C -5.114565 -1.363295 -0.501641
C -6.035452 -2.324799 -1.012606
C -5.867158 -3.670248 -0.635653
C -3.973685 -2.996152 0.719959
C -4.818542 -4.024016 0.248869
H 1.784741 2.575936 -0.934054
H -2.877453 2.753388 -1.804875
H -2.343803 0.053150 1.549255
H -0.371974 2.823995 -2.154278
H 0.161598 0.186333 1.275304
H 6.179987 2.778272 0.341671
H 6.116986 -2.156522 1.267735
H -5.992620 0.306426 -1.453393
H 8.265947 1.640004 1.208200
H 8.231264 -0.825861 1.677658
H -6.846245 -2.022820 -1.683327
H -6.554306 -4.432322 -1.018129
H -3.156313 -3.215755 1.415929
H -4.664925 -5.057693 0.569819


