%chk=000239312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239312

0 1
Cl -4.087003 -1.975733 1.278977
Cl -5.283403 0.331244 -0.445694
N 0.545907 -0.002624 0.592897
N 1.437087 1.779402 -0.666381
C 2.991446 0.339550 0.734575
C 3.319689 -1.128288 0.410399
C 3.331672 -1.400483 -1.099965
C 1.643070 0.788185 0.147254
C 3.025218 0.606619 2.239990
C 3.719537 -2.844314 -1.406389
C -0.828881 0.134189 0.293095
C -1.683517 -0.854304 0.845543
C -1.379350 1.174010 -0.487317
C 2.520861 2.636918 -1.151010
C -3.051938 -0.776244 0.607265
C -2.751131 1.229398 -0.711218
C -3.594689 0.254281 -0.164432
H 3.785442 0.978685 0.253195
H 4.310171 -1.377633 0.842296
H 2.608069 -1.812048 0.910642
H 4.034379 -0.708986 -1.604876
H 2.333825 -1.182122 -1.533295
H 2.345334 -0.044890 2.800181
H 2.737844 1.641713 2.468167
H 4.031359 0.450257 2.647702
H 4.720020 -3.086729 -1.030704
H 3.723204 -3.029929 -2.487339
H 3.017978 -3.557594 -0.958527
H 0.799372 -0.807000 1.171435
H -1.287295 -1.668077 1.448996
H -0.731735 1.943391 -0.924057
H 2.331529 3.670545 -0.805990
H 2.478798 2.648550 -2.256540
H 3.542917 2.351326 -0.846046
H -3.175086 2.034535 -1.315127


%chk=000239312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239312

0 1
Cl -4.146472 -1.939590 1.541910
Cl -5.420614 0.341556 -0.481638
N 0.542872 0.051774 0.605580
N 1.453763 1.801479 -0.678794
C 2.973083 0.327988 0.777322
C 3.312844 -1.140131 0.383806
C 3.398474 -1.377476 -1.140834
C 1.643408 0.813361 0.158710
C 2.993065 0.525488 2.317360
C 3.788043 -2.829114 -1.493040
C -0.834374 0.163138 0.315222
C -1.707731 -0.770120 0.944003
C -1.385701 1.143567 -0.557347
C 2.531530 2.648717 -1.198036
C -3.091402 -0.720579 0.706483
C -2.775953 1.175804 -0.781418
C -3.638321 0.251723 -0.156797
H 3.773862 0.962184 0.355386
H 4.283926 -1.401927 0.851744
H 2.570674 -1.842169 0.821732
H 4.140950 -0.677316 -1.575372
H 2.425484 -1.128468 -1.607801
H 2.269789 -0.134693 2.833425
H 2.749262 1.567022 2.592117
H 3.995744 0.288024 2.717819
H 4.771573 -3.094543 -1.061200
H 3.848816 -2.974451 -2.586790
H 3.043745 -3.547065 -1.099666
H 0.785572 -0.702381 1.249689
H -1.314486 -1.537128 1.620878
H -0.706774 1.851885 -1.034271
H 2.307537 3.703464 -0.948314
H 2.539541 2.578071 -2.302602
H 3.560388 2.428870 -0.839851
H -3.201416 1.928839 -1.451713


