%chk=000186453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186453

0 1
Cl 3.831086 2.567531 -0.408785
O -3.336225 3.336757 -0.634901
O -5.374858 -1.277850 -0.662530
O -3.568095 -2.468835 -1.189152
O 5.452388 0.325271 1.555198
C -1.772262 -0.569333 0.016709
C -0.911891 0.637812 0.510124
C -3.308431 -0.378539 0.168503
C -1.412372 1.914839 -0.206476
C -3.742333 0.952302 -0.482690
C -1.253236 -1.861724 0.664576
C -2.911024 2.137411 0.024492
C 0.551581 0.360668 0.150912
C 0.161405 -2.165868 0.158916
C -0.943900 0.842283 2.034561
C 1.042721 -0.954062 0.024487
C -3.822466 -0.497198 1.604912
C -4.014067 -1.495600 -0.629041
C 1.447931 1.429100 0.013750
C 2.400855 -1.169648 -0.259147
C 3.302589 -0.109526 -0.421265
C 2.791815 1.187260 -0.268102
C 4.762673 -0.367072 -0.717641
C 5.513024 -0.724363 0.584707
C 4.953436 -1.483519 -1.749947
H -1.584764 -0.654250 -1.090284
H -1.192919 1.848406 -1.288672
H -0.858012 2.806351 0.149767
H -4.819507 1.140401 -0.286269
H -3.662470 0.885201 -1.585037
H -1.917522 -2.715543 0.416963
H -1.256501 -1.775000 1.767648
H -3.138312 2.376796 1.089240
H 0.095409 -2.666439 -0.833511
H 0.639390 -2.907210 0.833013
H -0.345318 1.711136 2.332233
H -1.964764 0.998979 2.409498
H -0.528727 -0.026153 2.561726
H -3.374984 0.276128 2.250617
H -4.913570 -0.371425 1.651222
H -3.583628 -1.468042 2.053631
H 1.101960 2.458089 0.136494
H 2.767569 -2.192609 -0.351237
H -3.173308 3.301033 -1.595834
H -5.861679 -1.985509 -1.163458
H 5.231003 0.556785 -1.147921
H 6.576453 -0.947586 0.382498
H 5.049024 -1.575644 1.117792
H 6.000755 -1.560032 -2.064387
H 4.653073 -2.464861 -1.365472
H 4.355924 -1.290490 -2.650393
H 5.629681 1.196294 1.146463


%chk=000186453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186453

0 1
Cl 3.917820 2.637630 -0.462913
O -3.416305 3.421333 -0.599360
O -5.389928 -1.587060 -0.455962
O -3.462044 -2.122985 -1.605528
O 5.427352 0.347504 1.615325
C -1.805747 -0.558092 0.073681
C -0.926230 0.663078 0.534016
C -3.359611 -0.385708 0.199082
C -1.455835 1.946535 -0.181599
C -3.795641 0.977855 -0.456545
C -1.272450 -1.872675 0.687082
C -2.962642 2.171848 0.044513
C 0.538569 0.357445 0.124370
C 0.107383 -2.192176 0.076719
C -0.888502 0.923373 2.075522
C 1.022499 -0.974767 -0.026770
C -3.924291 -0.508488 1.641351
C -4.012759 -1.457775 -0.697841
C 1.463049 1.422521 -0.020536
C 2.392482 -1.184521 -0.315484
C 3.334654 -0.138602 -0.464697
C 2.811097 1.164706 -0.304572
C 4.813822 -0.417167 -0.722464
C 5.569014 -0.705964 0.608268
C 5.063091 -1.574752 -1.719499
H -1.629751 -0.638586 -1.021216
H -1.265823 1.859956 -1.273193
H -0.923662 2.847216 0.175177
H -4.867121 1.161839 -0.262338
H -3.662489 0.910832 -1.557844
H -1.960641 -2.709033 0.469309
H -1.197415 -1.791243 1.787273
H -3.169355 2.366615 1.110153
H -0.050222 -2.600262 -0.943117
H 0.614505 -2.989343 0.653806
H -0.145508 1.711995 2.291765
H -1.856612 1.260996 2.479620
H -0.577164 0.025451 2.635730
H -3.605643 0.336486 2.270350
H -5.025359 -0.522937 1.617963
H -3.582056 -1.439143 2.126487
H 1.137334 2.459311 0.097493
H 2.742465 -2.218266 -0.427953
H -3.237279 3.355116 -1.573218
H -5.767561 -2.241254 -1.104796
H 5.255492 0.501311 -1.157351
H 6.641254 -0.886089 0.373007
H 5.158555 -1.612101 1.088481
H 6.140998 -1.657318 -1.950482
H 4.737834 -2.549340 -1.310685
H 4.521571 -1.404546 -2.666223
H 5.549408 1.232142 1.184144


