%chk=000207875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207875

0 1
Cl 0.736895 -3.094375 0.864720
S -3.373299 0.414155 0.690867
S 2.853654 -0.407007 -2.219924
P 3.439693 -0.200782 -0.430596
O -4.060773 -0.829834 0.987763
O -3.640420 1.581499 1.509163
O 2.391087 -0.772744 0.743594
O 3.707040 1.309261 0.126525
O 4.776366 -0.992354 0.056412
N -3.649668 0.899017 -0.938127
C -3.468503 -0.132177 -1.994529
C -4.775568 1.851025 -1.141787
C -1.665212 0.089353 0.684919
C -1.219947 -1.233892 0.775478
C -0.756780 1.149112 0.609623
C -4.452182 -1.298906 -1.951469
C -6.164737 1.285386 -0.852010
C 1.062168 -0.420774 0.664750
C 0.149450 -1.492916 0.760774
C 0.619623 0.905793 0.600391
C 4.558135 2.177378 -0.701149
C 4.732318 -2.461576 -0.069542
C 4.446554 3.515033 0.001710
C 5.993383 -2.892505 0.649713
H -2.421756 -0.510714 -1.917066
H -3.532699 0.376135 -2.985161
H -4.728398 2.224173 -2.189839
H -4.582675 2.733721 -0.481603
H -1.937861 -2.062526 0.859961
H -1.118368 2.183397 0.564923
H -4.232178 -2.034913 -2.730615
H -5.489462 -0.959374 -2.091184
H -4.432597 -1.825229 -0.981713
H -6.944539 2.016934 -1.090579
H -6.291554 1.018240 0.206206
H -6.367643 0.376605 -1.438310
H 1.330214 1.735875 0.563588
H 5.589168 1.775112 -0.674538
H 4.170293 2.214627 -1.737972
H 3.816257 -2.847471 0.421137
H 4.750066 -2.719911 -1.146252
H 3.436342 3.936605 -0.085502
H 4.650604 3.410879 1.078785
H 5.156440 4.243956 -0.407112
H 6.886641 -2.440119 0.196243
H 5.980623 -2.570849 1.701598
H 6.114506 -3.982022 0.628832


%chk=000207875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207875

0 1
Cl 0.726526 -3.147017 1.091105
S -3.573921 0.398697 0.687137
S 3.087756 -0.389927 -2.361927
P 3.581821 -0.168757 -0.377074
O -4.252240 -1.019041 1.152798
O -3.862799 1.765590 1.524591
O 2.390865 -0.663936 0.823540
O 3.910264 1.414425 0.208745
O 4.922457 -1.033841 0.247519
N -3.882841 0.856646 -1.093787
C -3.717104 -0.284892 -2.035259
C -5.025534 1.806736 -1.233844
C -1.711121 0.087584 0.643190
C -1.279155 -1.232818 0.840066
C -0.842509 1.180823 0.492181
C -4.843227 -1.339913 -2.149591
C -6.422050 1.354936 -0.744641
C 1.022814 -0.391056 0.704225
C 0.108529 -1.462915 0.859038
C 0.543344 0.930434 0.527766
C 4.873060 2.270144 -0.562257
C 4.982227 -2.517558 0.015315
C 4.819265 3.649548 0.084269
C 6.332279 -2.971168 0.557729
H -2.768372 -0.786755 -1.762576
H -3.535999 0.188782 -3.020898
H -5.047752 2.051511 -2.314393
H -4.738813 2.726015 -0.693793
H -2.005910 -2.038213 0.988373
H -1.236039 2.193630 0.369562
H -4.498886 -2.163352 -2.802989
H -5.759674 -0.920034 -2.597778
H -5.087522 -1.760604 -1.159587
H -7.143940 2.176829 -0.907629
H -6.402427 1.138880 0.337893
H -6.790539 0.461333 -1.272550
H 1.269846 1.744394 0.438749
H 5.877063 1.814763 -0.483028
H 4.558053 2.290300 -1.623132
H 4.136791 -2.981657 0.555162
H 4.880365 -2.709958 -1.069882
H 3.806829 4.081176 0.008981
H 5.100122 3.593083 1.149100
H 5.526703 4.326555 -0.429116
H 7.158826 -2.475908 0.020870
H 6.419166 -2.738904 1.632208
H 6.434104 -4.064287 0.426713


