%chk=000216851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216851

0 1
Cl -0.521902 -3.643730 0.798932
S -3.258646 -0.743605 -0.971722
P 1.397811 0.930639 1.148816
O 2.717363 1.888762 0.881014
O 1.351941 0.313013 2.493309
O -2.640165 0.093326 0.365089
O -2.159310 -0.798785 -1.907435
O -4.485085 -0.101963 -1.352075
N 1.390755 -0.229180 -0.149214
N 0.107425 2.098597 0.824561
C 1.647301 0.361004 -1.494121
C 2.993608 1.100260 -1.448738
C 2.972711 2.302804 -0.497066
C 0.295925 -1.234925 -0.084483
C 4.329057 2.985033 -0.386466
C -1.231564 1.720373 1.346884
C 0.773559 -2.385966 0.805565
C -2.165282 1.440810 0.152837
C -3.515227 -2.264375 -0.198485
H 1.703675 -0.467166 -2.239835
H 0.828214 1.030929 -1.845756
H 3.268721 1.433923 -2.467599
H 3.794620 0.391439 -1.141506
H 2.177580 3.032849 -0.779761
H 0.049565 -1.608861 -1.109970
H -0.668547 -0.827456 0.305721
H 0.328210 3.084991 1.042498
H 4.302521 3.775330 0.377565
H 4.643682 3.432305 -1.333740
H 5.106369 2.279228 -0.061184
H -1.219316 0.816987 2.011090
H -1.658630 2.529896 1.978354
H 1.702311 -2.852438 0.431664
H 0.934021 -2.076642 1.861386
H -1.632656 1.504899 -0.816826
H -3.049993 2.101829 0.146045
H -4.572138 -2.569313 -0.144840
H -3.150016 -2.287804 0.848658
H -2.975869 -3.101614 -0.678667


%chk=000216851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216851

0 1
Cl 0.199259 -4.186152 0.513529
S -3.160684 -0.589957 -1.116348
P 1.084831 1.009815 1.196618
O 2.502969 1.975049 0.881665
O 0.922362 0.337653 2.628881
O -2.368660 0.215213 0.387416
O -2.058112 -0.683590 -2.301057
O -4.586573 0.123344 -1.405768
N 1.191810 -0.206831 -0.051093
N -0.120430 2.233603 0.884197
C 1.688188 0.163563 -1.397984
C 3.049004 0.885424 -1.313947
C 2.967242 2.207014 -0.528652
C 0.384890 -1.434709 0.091226
C 4.307503 2.926007 -0.381014
C -1.474800 2.181043 1.444987
C 1.281011 -2.616822 0.478433
C -2.548386 1.682406 0.454578
C -3.396136 -2.289909 -0.304930
H 1.799291 -0.769938 -1.978356
H 0.944300 0.789907 -1.939676
H 3.404195 1.111647 -2.338445
H 3.790000 0.221017 -0.831717
H 2.225228 2.874118 -1.022923
H -0.139362 -1.636558 -0.862202
H -0.378863 -1.292484 0.874266
H 0.227014 3.140388 0.568775
H 4.188174 3.843628 0.218913
H 4.708429 3.200928 -1.374069
H 5.035329 2.272289 0.129456
H -1.477825 1.534585 2.342831
H -1.772549 3.194520 1.778160
H 2.071331 -2.823727 -0.258382
H 1.690171 -2.508622 1.492502
H -2.393621 2.144633 -0.538316
H -3.566412 1.914184 0.821313
H -4.050636 -2.120255 0.559354
H -2.396199 -2.644167 -0.017723
H -3.860685 -2.922855 -1.073997


