%chk=000281118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281118

0 1
Cl 1.765576 4.465276 1.305814
S -2.341179 -2.900879 -1.204992
F -2.257299 -3.884903 0.026983
O -3.830522 3.473712 0.181071
O -3.074920 -3.651416 -2.179912
O -0.969417 -2.521307 -1.424949
N 3.166830 -0.250388 -0.198649
N 3.773884 -2.391081 0.953282
N 5.487684 -0.914921 0.025263
N 4.994257 1.182730 -0.912124
N -2.290096 1.829085 0.622109
N 6.059195 -2.725734 1.459746
C 2.678455 -1.635461 0.334680
C 2.237405 0.841561 -0.292613
C 1.608670 -1.392785 1.405653
C 2.140390 -2.412510 -0.868943
C 4.555841 -0.034224 -0.350359
C 0.403956 2.981440 -0.504529
C 2.432272 2.009315 0.469850
C 1.127097 0.742278 -1.152318
C -0.574566 4.116358 -0.612305
C 1.514757 3.050031 0.350699
C 0.234729 1.807897 -1.258866
C 5.034175 -2.033036 0.796440
C -1.552279 4.177494 0.570129
C -2.679310 3.173157 0.427286
C -3.099025 0.703536 0.265415
C -3.223200 -1.574978 -0.570083
C -4.616325 -1.563680 -0.440379
C -2.464647 -0.448128 -0.207383
C -4.511453 0.734638 0.377574
C -5.246258 -0.388097 0.035231
C -5.451659 -2.746985 -0.777697
H 1.367468 -2.349260 1.898625
H 1.962897 -0.720736 2.195921
H 0.680203 -0.996989 0.988568
H 1.948404 -3.459308 -0.585707
H 1.179049 -2.021282 -1.238751
H 2.844799 -2.433606 -1.705694
H 3.292219 2.096538 1.140387
H 0.970030 -0.173762 -1.734472
H -0.025759 5.083912 -0.675523
H -1.141607 4.056519 -1.566576
H -0.610894 1.728127 -1.945964
H -2.006013 5.193767 0.623641
H -1.017250 4.052547 1.534731
H 5.988577 1.226140 -1.127466
H 4.409670 1.615457 -1.614843
H -1.306990 1.623565 0.826066
H 5.843991 -3.667760 1.759906
H 6.996620 -2.596796 1.102388
H -1.371612 -0.472622 -0.310885
H -5.006887 1.652397 0.720692
H -6.333631 -0.366871 0.129193
H -5.162820 -3.221144 -1.738980
H -5.371536 -3.535311 -0.011530
H -6.520645 -2.508418 -0.869149


%chk=000281118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281118

0 1
Cl 1.666768 4.369585 1.768384
S -2.453201 -3.042903 -1.143041
F -2.719316 -4.098337 0.373217
O -3.986264 3.647075 0.533348
O -3.167515 -3.839205 -2.341132
O -0.877070 -2.707357 -1.211151
N 3.255254 -0.252146 -0.096530
N 3.889388 -2.324306 1.113219
N 5.550217 -0.987251 -0.099955
N 4.983434 1.029505 -1.117577
N -2.407229 1.944349 0.211781
N 6.191188 -2.718353 1.326601
C 2.800990 -1.667264 0.378100
C 2.336592 0.838277 -0.227872
C 1.603945 -1.516296 1.335771
C 2.424123 -2.514850 -0.865783
C 4.603057 -0.104145 -0.425128
C 0.487063 3.048233 -0.421329
C 2.406712 1.924863 0.687529
C 1.354530 0.872225 -1.252685
C -0.501695 4.201027 -0.529118
C 1.501250 2.991519 0.570953
C 0.455137 1.957377 -1.336502
C 5.134295 -2.016479 0.776904
C -1.611055 4.257583 0.575028
C -2.780428 3.275144 0.433637
C -3.240838 0.816961 0.013279
C -3.411001 -1.525308 -0.572523
C -4.813896 -1.584768 -0.414856
C -2.610147 -0.394784 -0.368607
C -4.654189 0.832183 0.172268
C -5.399577 -0.346043 -0.036657
C -5.645014 -2.836995 -0.599064
H 1.351292 -2.520407 1.711760
H 1.874836 -0.884569 2.198958
H 0.714800 -1.102259 0.830066
H 2.226528 -3.550522 -0.540994
H 1.507559 -2.141551 -1.356300
H 3.258875 -2.529719 -1.589025
H 3.163220 1.914348 1.476982
H 1.308919 0.057502 -1.981130
H 0.056191 5.153211 -0.457383
H -0.982890 4.182451 -1.523941
H -0.284251 1.980816 -2.146500
H -2.070004 5.260031 0.568183
H -1.145559 4.125540 1.570711
H 5.977960 1.137152 -1.301557
H 4.307392 1.662519 -1.535668
H -1.399742 1.770678 0.129829
H 5.998812 -3.493340 1.954316
H 7.139639 -2.425793 1.112899
H -1.524595 -0.452599 -0.507855
H -5.143843 1.765874 0.454660
H -6.485585 -0.315311 0.104611
H -5.586337 -3.214170 -1.635530
H -5.286523 -3.650830 0.057182
H -6.700902 -2.635072 -0.359082


