%chk=000281114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281114

0 1
Cl 1.389420 4.429241 -1.084868
S -5.746809 -1.860330 1.184794
F -6.986421 -1.119234 0.545295
O -3.707752 2.551696 0.729298
O -6.074661 -3.247986 1.033026
O -5.601304 -1.243237 2.466459
N 3.438155 -0.151531 -0.034746
N 4.179580 -2.236739 -1.207720
N 5.386487 -1.364363 0.735109
N 4.537462 0.378411 2.064441
N -2.129524 1.428562 -0.513434
N 6.201377 -3.225823 -0.494058
C 3.217740 -1.134133 -1.220555
C 2.413361 0.822674 0.256484
C 1.806069 -1.727086 -1.106686
C 3.399154 -0.323953 -2.512395
C 4.470701 -0.400737 0.891618
C 0.424893 2.744444 0.804112
C 2.394569 2.025191 -0.467185
C 1.452193 0.580528 1.255786
C -0.632851 3.766695 1.105699
C 1.398066 2.959637 -0.182775
C 0.472059 1.535263 1.519784
C 5.189522 -2.267907 -0.352811
C -1.752438 3.792521 0.059315
C -2.640958 2.564567 0.149805
C -2.792380 0.163971 -0.624035
C -2.363664 -0.755048 -1.622200
C -3.847311 -0.180587 0.239737
C -4.467727 -1.424952 0.115901
C -3.004104 -1.997247 -1.717981
C -4.051918 -2.334337 -0.858992
C -1.247259 -0.432113 -2.557934
H 1.692284 -2.545120 -1.835353
H 1.627567 -2.171976 -0.120522
H 1.016143 -0.988692 -1.301780
H 3.400545 -1.006034 -3.376626
H 2.608149 0.412621 -2.665732
H 4.365739 0.195169 -2.531698
H 3.149010 2.226154 -1.231303
H 1.482925 -0.350265 1.826680
H -1.071220 3.592226 2.113929
H -0.174329 4.780056 1.170673
H -0.273798 1.338779 2.294704
H -1.342108 3.931898 -0.961057
H -2.397591 4.685427 0.234281
H 5.384861 0.255332 2.616975
H 4.229460 1.340526 2.012678
H -1.203191 1.487851 -0.941285
H 5.990951 -4.029749 -1.070819
H 6.771568 -3.415386 0.319316
H -4.179668 0.534884 1.011947
H -2.683868 -2.712448 -2.477006
H -4.539218 -3.312684 -0.950749
H -1.360704 0.559216 -3.019734
H -0.265949 -0.466481 -2.041359
H -1.179184 -1.148362 -3.391152


%chk=000281114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281114

0 1
Cl 1.702888 4.444924 -1.080767
S -5.483112 -2.117965 0.690673
F -7.016314 -1.375065 -0.053844
O -3.194286 2.367968 1.109763
O -5.609186 -3.704074 0.460123
O -5.354199 -1.475067 2.155961
N 3.317208 -0.337171 0.310050
N 3.882987 -2.289297 -1.110829
N 5.620170 -0.997592 0.044701
N 5.101820 0.915221 1.270613
N -2.256375 1.733820 -0.949624
N 6.162284 -2.557200 -1.602832
C 2.878036 -1.741425 -0.184750
C 2.386614 0.727946 0.542894
C 2.740224 -2.680850 1.045126
C 1.549272 -1.627612 -0.955988
C 4.687703 -0.170336 0.525547
C 0.499093 2.873653 0.926156
C 2.469228 1.910999 -0.242599
C 1.364346 0.629201 1.522364
C -0.536577 3.968239 1.111362
C 1.541490 2.943640 -0.031298
C 0.440615 1.680035 1.695356
C 5.147576 -1.958094 -0.880036
C -1.654296 3.922647 0.020355
C -2.450756 2.621100 0.117574
C -2.808023 0.440472 -1.133053
C -2.382426 -0.315878 -2.276076
C -3.757873 -0.100916 -0.226630
C -4.243634 -1.383683 -0.504154
C -2.922360 -1.605426 -2.482158
C -3.871509 -2.170537 -1.602794
C -1.360161 0.247185 -3.245557
H 2.519654 -3.702943 0.691636
H 3.686727 -2.710947 1.613510
H 1.925097 -2.360513 1.719684
H 1.325387 -2.624728 -1.368338
H 0.709363 -1.308349 -0.316487
H 1.661594 -0.927081 -1.801922
H 3.247349 2.001580 -1.005582
H 1.299468 -0.265633 2.147850
H -1.018885 3.864154 2.098877
H -0.060349 4.964061 1.067566
H -0.350612 1.586237 2.448016
H -1.207222 4.070944 -0.979647
H -2.356232 4.755444 0.205001
H 6.105696 1.045233 1.369902
H 4.450076 1.490079 1.797803
H -1.595228 2.042849 -1.664669
H 5.932398 -3.281951 -2.276228
H 7.117469 -2.243665 -1.460357
H -4.071835 0.473981 0.648839
H -2.593564 -2.182891 -3.352539
H -4.287104 -3.169694 -1.759287
H -1.710786 1.184075 -3.722726
H -0.393247 0.459186 -2.747081
H -1.153581 -0.469288 -4.056156


