%chk=000281422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281422

0 1
Cl 7.108065 -3.314381 -1.054003
S -6.225022 -1.283160 0.247566
O 3.352108 1.784441 1.415313
O -6.750379 -1.569802 1.566110
O -7.031626 -0.629816 -0.761520
O 0.519584 3.248424 -1.410448
N 2.532067 0.360839 -0.210972
N -0.016695 1.292047 0.470508
N -1.124399 1.708745 0.848272
N -5.784015 -2.805462 -0.420898
C 1.123321 2.218259 0.682699
C -4.718973 -0.451246 0.403477
C 2.445528 1.421922 0.689212
C -2.296376 0.885266 0.656198
C -3.987729 -0.555188 1.591690
C -4.240793 0.327776 -0.655824
C 3.663377 -0.506639 -0.370202
C -2.767775 0.108943 1.728454
C -3.022530 0.998881 -0.541542
C 1.200410 3.310720 -0.421848
C 3.538927 -1.553588 -1.309962
C 4.855411 -0.335731 0.355667
C 2.170017 4.400271 -0.118847
C 4.608163 -2.422027 -1.520510
C 5.922869 -1.208601 0.141685
C 5.787575 -2.238688 -0.791799
H 1.064914 2.746413 1.681585
H -4.374652 -1.153302 2.426445
H -4.825247 0.421343 -1.579809
H 1.697052 0.114038 -0.760481
H -2.196289 0.032256 2.652652
H -2.643149 1.608046 -1.363590
H 2.617559 -1.690803 -1.874113
H 4.952564 0.474731 1.088206
H 1.706253 5.187170 0.497993
H 3.064312 4.055980 0.430039
H 2.518980 4.894980 -1.040423
H 4.525977 -3.234334 -2.244240
H 6.852711 -1.085204 0.699951
H -5.896759 -3.635129 0.157707
H -6.085837 -3.019287 -1.369099


%chk=000281422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281422

0 1
Cl 6.582947 -3.613356 -1.741376
S -5.974130 -1.527475 -0.234959
O 3.592592 2.018751 1.280852
O -7.128855 -1.053766 0.810380
O -6.148631 -1.509832 -1.853589
O 0.643702 3.691710 -1.166121
N 2.434878 0.470664 -0.078805
N 0.076648 1.499917 0.437364
N -0.977126 1.654073 1.174640
N -5.519506 -3.248800 0.222987
C 1.199262 2.370390 0.844582
C -4.405148 -0.563146 0.177679
C 2.542271 1.592791 0.715552
C -2.116308 0.871277 0.771412
C -4.293446 -0.010618 1.463241
C -3.442669 -0.406583 -0.836230
C 3.446504 -0.459642 -0.439219
C -3.129249 0.729504 1.753935
C -2.278914 0.322847 -0.531153
C 1.275568 3.639366 -0.087483
C 3.069083 -1.545098 -1.274714
C 4.793398 -0.342810 -0.002136
C 2.151523 4.752132 0.446846
C 4.018269 -2.506313 -1.673828
C 5.743965 -1.305784 -0.401833
C 5.348680 -2.373341 -1.229697
H 1.103581 2.724022 1.889644
H -5.099883 -0.130578 2.193007
H -3.622268 -0.816759 -1.835136
H 1.472432 0.302458 -0.413884
H -2.983449 1.199357 2.731178
H -1.506565 0.498462 -1.285660
H 2.031836 -1.641009 -1.617418
H 5.083094 0.490687 0.640286
H 1.623075 5.267091 1.273187
H 3.087428 4.342764 0.867945
H 2.362920 5.482538 -0.349157
H 3.727361 -3.340717 -2.317880
H 6.782199 -1.220813 -0.068470
H -6.148840 -3.560089 0.981411
H -5.578729 -3.835168 -0.626080


