%chk=000186359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186359

0 1
Cl 2.774655 0.882072 -3.406345
Cl 5.554488 1.186810 1.180003
S 0.160938 1.727836 1.256022
O -1.248310 0.263646 -1.194444
O -0.517684 -3.508429 1.356737
O -5.514504 0.066105 0.415359
O -5.857812 0.771310 -1.684131
N 0.091046 -1.610758 0.258975
N -2.903103 0.535261 0.353250
C -0.902802 -0.793487 0.978782
C -0.237947 0.124818 2.006097
C -1.669096 0.047833 -0.069908
C 1.662052 1.410541 0.377622
C 0.173180 -2.993745 0.494262
C -3.742031 1.319806 -0.564812
C 2.871196 1.395071 1.076042
C 1.607111 1.252811 -1.007617
C 1.166613 -3.720797 -0.359694
C 2.811342 1.080807 -1.698441
C 4.049873 1.215199 0.344794
C 4.046637 1.057746 -1.044280
C -5.120058 0.713221 -0.734277
H -1.610768 -1.498002 1.516046
H 0.659253 -0.355171 2.447181
H -0.918342 0.337102 2.855875
H 0.582956 -1.153983 -0.510558
H -3.310174 0.320626 1.260064
H -3.245303 1.394469 -1.575015
H -3.852837 2.370053 -0.193466
H 2.905069 1.528504 2.159362
H 0.644707 1.257697 -1.544048
H 1.197634 -4.786844 -0.076695
H 0.907537 -3.680352 -1.427564
H 2.186994 -3.328644 -0.249104
H 4.977348 0.925102 -1.599294
H -6.415659 -0.350534 0.332022


%chk=000186359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186359

0 1
Cl 4.216717 2.834963 -2.734039
Cl 4.953941 -0.862826 1.344645
S -0.057758 1.648400 0.543045
O -2.020879 -0.822284 -1.645554
O 0.862386 -2.559157 1.872507
O -5.310603 1.221113 1.265512
O -6.491336 1.703216 -0.683164
N -0.092623 -1.734935 -0.065983
N -3.338437 -0.015313 0.079133
C -1.157506 -1.041072 0.654303
C -0.648862 0.145440 1.518711
C -2.204750 -0.617421 -0.404734
C 1.693972 1.294679 0.113302
C 0.846457 -2.497232 0.598438
C -4.372911 0.468807 -0.837688
C 2.531415 0.415250 0.839993
C 2.203711 2.035136 -0.984141
C 1.850914 -3.237146 -0.271446
C 3.558531 1.883650 -1.327533
C 3.873641 0.291012 0.435341
C 4.427074 1.013025 -0.640025
C -5.502385 1.192330 -0.126965
H -1.624650 -1.752274 1.370835
H 0.142815 -0.215434 2.192316
H -1.461705 0.550030 2.146867
H -0.162479 -1.696016 -1.090404
H -3.489044 0.139318 1.078411
H -4.811642 -0.364967 -1.419827
H -3.937653 1.155248 -1.589123
H 2.168683 -0.170423 1.688179
H 1.556421 2.702881 -1.559060
H 2.871767 -2.925359 0.010199
H 1.773618 -4.319675 -0.069746
H 1.705889 -3.060593 -1.350438
H 5.474065 0.900802 -0.928303
H -6.062596 1.700529 1.705241


