%chk=000184553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184553

0 1
Cl 5.648915 -3.149230 -0.000868
S 3.610127 2.703931 0.001078
O -6.957522 -0.413600 0.000483
O -0.749538 1.546377 0.000664
N 0.906195 -0.102871 -0.000542
N -1.378811 -0.693273 -0.000982
N 2.001314 2.057617 0.000518
C 3.398975 0.128110 0.000008
C 4.386639 1.140044 0.000604
C 2.041008 0.737164 0.000005
C 3.779474 -1.219350 -0.000465
C 5.750692 0.841455 0.000757
C -2.806527 -0.523558 -0.000497
C 5.143157 -1.501232 -0.000335
C 6.131342 -0.497838 0.000286
C -0.452282 0.376696 -0.000163
C -3.587093 -1.703617 0.001185
C -3.424088 0.735917 -0.001843
C -5.579647 -0.343620 0.000023
C -4.971905 -1.617402 0.001420
C -4.818023 0.829570 -0.001579
C -7.692803 0.833277 -0.000945
H 3.044052 -2.021230 -0.000893
H 6.498793 1.634177 0.001249
H 1.099654 -1.103968 -0.001502
H 7.187075 -0.775728 0.000394
H -1.054378 -1.658475 -0.001202
H -3.113012 -2.683544 0.002314
H -2.823964 1.654772 -0.003050
H -5.597826 -2.508060 0.002688
H -5.284399 1.810874 -0.002609
H -7.473680 1.405769 0.904919
H -8.732114 0.479520 -0.000322
H -7.474001 1.403528 -0.908297


%chk=000184553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184553

0 1
Cl 5.446630 -3.371823 0.002556
S 3.798659 2.806910 -0.001501
O -6.997741 -0.554097 -0.000069
O -0.731420 1.770148 -0.000829
N 0.924468 0.080137 -0.001001
N -1.331797 -0.511746 -0.001175
N 2.068881 2.202471 -0.001755
C 3.403260 0.183572 -0.000149
C 4.468693 1.131350 -0.000351
C 2.093686 0.857398 -0.000971
C 3.699016 -1.204516 0.000752
C 5.819501 0.720173 0.000313
C -2.757770 -0.427272 -0.000869
C 5.045159 -1.593855 0.001388
C 6.110125 -0.658740 0.001182
C -0.420378 0.553945 -0.001229
C -3.480697 -1.652767 -0.000757
C -3.473022 0.795524 -0.000698
C -5.597689 -0.435378 -0.000325
C -4.884142 -1.659954 -0.000492
C -4.885705 0.787839 -0.000427
C -7.776539 0.685959 0.000107
H 2.917238 -1.971798 0.000995
H 6.634916 1.449376 0.000159
H 1.079588 -0.928943 -0.000722
H 7.145701 -1.009676 0.001704
H -0.967230 -1.466552 -0.001409
H -2.941867 -2.609681 -0.000881
H -2.924101 1.738545 -0.000790
H -5.446304 -2.598279 -0.000409
H -5.412403 1.746674 -0.000305
H -7.570986 1.291059 0.904723
H -8.828590 0.365112 0.000307
H -7.571341 1.291089 -0.904570


