%chk=000211681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211681

0 1
Br -4.795361 3.167882 -1.157241
Cl -4.126686 2.108878 1.913532
S 0.874204 -3.348515 -0.183639
S -1.696864 -2.864742 -1.404334
N 1.884471 -0.934408 0.362364
N -0.516236 -1.048015 0.135284
C 3.017861 0.017892 0.666312
C 4.265759 -0.395078 -0.145632
C 2.598144 1.449282 0.261450
C 5.417991 0.586166 0.103489
C 3.742407 2.437877 0.514597
C 5.012433 2.025199 -0.240963
C 0.598767 -0.586078 1.029752
C 2.199409 -2.357054 0.603882
C -0.486676 -2.266772 -0.471453
C -1.544541 -0.073497 -0.177705
C -2.282703 0.480194 0.878865
C -1.775694 0.325133 -1.506414
C -3.252120 1.447530 0.590939
C -2.753943 1.281949 -1.772762
C -3.491151 1.853701 -0.725862
H 3.267016 -0.001398 1.758453
H 4.012381 -0.420282 -1.225581
H 4.585775 -1.421776 0.114494
H 1.694375 1.768133 0.817487
H 2.313486 1.461067 -0.810780
H 6.295802 0.287949 -0.501476
H 5.743671 0.529239 1.159984
H 3.954199 2.505506 1.599033
H 3.431701 3.453351 0.201833
H 5.838945 2.719726 -0.000506
H 4.844869 2.115789 -1.332099
H 0.516591 0.523125 1.170511
H 0.457546 -1.071155 2.028363
H 3.152838 -2.634794 0.096598
H 2.282134 -2.650121 1.671242
H -2.129035 0.148045 1.906447
H -1.205534 -0.121100 -2.326415
H -2.943431 1.584173 -2.807048


%chk=000211681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211681

0 1
Br -4.420422 3.779726 0.447519
Cl -4.146418 1.333594 2.791500
S 1.154010 -2.927199 -1.188849
S -1.356890 -1.812066 -2.376606
N 1.961531 -1.181359 0.939849
N -0.333081 -0.894904 0.007409
C 2.698008 0.054111 0.523748
C 4.134108 0.051909 1.105354
C 2.727173 0.314872 -1.008720
C 4.877032 1.369607 0.776349
C 3.468567 1.635629 -1.330231
C 4.900321 1.642414 -0.746256
C 0.552815 -1.074848 1.242760
C 2.308212 -2.450635 0.374465
C -0.247934 -1.748026 -1.085808
C -1.320601 0.156055 0.071778
C -2.173331 0.230742 1.197438
C -1.401458 1.151205 -0.934501
C -3.087425 1.298373 1.320676
C -2.323329 2.205544 -0.807545
C -3.171767 2.291127 0.322904
H 2.146183 0.893592 0.997186
H 4.704855 -0.799380 0.679073
H 4.081813 -0.108224 2.198404
H 1.698844 0.347725 -1.411650
H 3.240405 -0.526124 -1.516184
H 5.907474 1.326351 1.177722
H 4.370452 2.212610 1.290429
H 2.898477 2.489503 -0.907958
H 3.499075 1.785802 -2.426208
H 5.394008 2.611207 -0.952902
H 5.504704 0.859839 -1.249805
H 0.358337 -0.203250 1.885941
H 0.229322 -1.997210 1.762786
H 3.334437 -2.469842 -0.016801
H 2.137835 -3.279895 1.078041
H -2.157052 -0.549919 1.963401
H -0.757955 1.091715 -1.815450
H -2.387535 2.972628 -1.584256


