%chk=000189878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189878

0 1
Br 3.886590 -4.011258 1.127474
Cl -8.266917 -1.485121 1.119631
O 2.804924 2.056067 1.623410
O 5.024130 1.508546 -0.995771
N -2.325066 1.060992 -0.675590
N 1.267794 1.001712 0.313346
N 6.095522 -3.058332 -0.667657
C 0.148169 1.898253 0.707974
C -0.969832 1.099109 1.404861
C -0.411433 2.635113 -0.524708
C -1.770425 0.219300 0.435184
C -1.222467 1.718769 -1.452316
C -3.183122 0.237735 -1.593221
C -4.445002 -0.199294 -0.887767
C 2.548405 1.142483 0.851916
C 3.508448 0.101321 0.402980
C -4.897549 -1.520758 -1.018961
C -5.184991 0.721010 -0.126431
C 4.634171 0.339587 -0.414509
C -6.083869 -1.925468 -0.399692
C -6.368902 0.328583 0.499947
C 3.296685 -1.208996 0.877307
C -6.800457 -0.991987 0.350450
C 5.516171 -0.698671 -0.776280
C 4.152384 -2.236081 0.531013
C 5.284102 -1.999871 -0.306598
C 4.366606 2.759795 -0.673049
H 0.561825 2.657182 1.432706
H -1.657883 1.818327 1.896587
H -0.550017 0.475120 2.216312
H 0.407772 3.111466 -1.094537
H -1.062707 3.460894 -0.169005
H -1.144364 -0.622013 0.069657
H -2.630675 -0.235651 0.977614
H -1.689018 2.333465 -2.253976
H -0.550894 0.990763 -1.955498
H -2.645301 -0.637236 -2.021195
H -3.475549 0.879067 -2.459748
H 1.051764 0.250575 -0.333019
H -4.329225 -2.241707 -1.604670
H -4.817900 1.744959 -0.019205
H -6.441230 -2.949595 -0.500013
H -6.945956 1.037114 1.093364
H 2.440273 -1.405949 1.531087
H 6.364402 -0.462995 -1.413618
H 6.033938 -3.958436 -0.217447
H 6.950994 -2.880322 -1.167820
H 3.335169 2.747963 -1.033460
H 4.977308 3.478337 -1.233918
H 4.419005 2.953132 0.408959


%chk=000189878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189878

0 1
Br 2.818603 -3.783197 -1.310709
Cl -8.174220 -1.504723 1.925654
O 2.400823 1.861943 1.675791
O 5.508726 1.393049 0.721968
N -2.314947 0.896783 -0.851310
N 1.292011 1.455576 -0.322246
N 5.877227 -3.141009 -0.713396
C 0.134572 2.312281 0.023277
C -0.821825 1.603494 1.018903
C -0.639343 2.695949 -1.257828
C -1.574260 0.437830 0.353556
C -1.409434 1.498359 -1.855820
C -3.171385 -0.164328 -1.429739
C -4.378215 -0.503917 -0.560030
C 2.343400 1.246752 0.559795
C 3.344039 0.214939 0.117282
C -4.872404 -1.829440 -0.499850
C -5.058392 0.511224 0.158456
C 4.763796 0.291588 0.300024
C -6.028586 -2.145206 0.250649
C -6.211709 0.216607 0.917931
C 2.822378 -1.016768 -0.378062
C -6.681070 -1.111411 0.947672
C 5.578963 -0.828662 0.019333
C 3.640333 -2.112846 -0.658772
C 5.053652 -2.058001 -0.453765
C 4.978143 2.764312 0.663036
H 0.539785 3.218139 0.511735
H -1.555988 2.345838 1.385753
H -0.243848 1.243000 1.887737
H 0.048974 3.118668 -2.015109
H -1.370894 3.480901 -0.993092
H -0.848918 -0.376238 0.085579
H -2.298714 0.003611 1.064544
H -2.014866 1.843322 -2.714820
H -0.686264 0.737306 -2.262347
H -2.594133 -1.101996 -1.638394
H -3.531502 0.205475 -2.411638
H 1.331260 1.024495 -1.247423
H -4.353108 -2.630409 -1.040202
H -4.662441 1.531786 0.123122
H -6.406856 -3.170576 0.296153
H -6.734806 1.000968 1.473115
H 1.737970 -1.125889 -0.481813
H 6.658434 -0.711969 0.159379
H 5.483992 -4.014114 -1.056938
H 6.875750 -3.085345 -0.537113
H 4.435884 2.937753 -0.286576
H 5.871254 3.406749 0.706004
H 4.303959 2.954345 1.512645


