%chk=000295338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295338

0 1
Br -4.853359 -2.412408 -1.509668
Cl 3.362377 -1.339603 -2.269595
S -0.482155 2.062893 -0.087904
O -1.111957 3.116104 0.678540
O 0.309149 2.352618 -1.256267
N 0.507697 1.288177 1.097539
C 1.452611 0.261191 0.852906
C -1.653162 0.852360 -0.478816
C 1.906446 -0.552535 1.933575
C 1.928826 0.025758 -0.449063
C 2.798145 -1.594935 1.668825
C -2.878812 0.839065 0.196473
C -1.385038 -0.096429 -1.470207
C 1.444050 -0.309792 3.333773
C 2.806064 -1.037055 -0.660053
C 3.250734 -1.859656 0.370203
C -3.838109 -0.131300 -0.106682
C -2.335838 -1.074234 -1.782396
C -3.550369 -1.079108 -1.092951
H 0.473266 1.639727 2.064602
H 1.671501 0.689709 -1.283789
H -3.097062 1.596228 0.960402
H -0.432906 -0.079682 -2.015460
H 3.150343 -2.223899 2.488142
H 0.349056 -0.369659 3.414875
H 1.849898 -1.048012 4.039984
H 1.762226 0.677138 3.699995
H 3.936934 -2.681464 0.177552
H -4.794404 -0.140695 0.419487
H -2.123653 -1.816403 -2.554923


%chk=000295338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295338

0 1
Br -5.024643 -2.370646 -1.799647
Cl 3.301108 -1.682432 -2.255934
S -0.469369 2.079082 -0.068548
O -1.176075 3.209362 0.861800
O 0.371616 2.460121 -1.406175
N 0.543093 1.208264 1.163213
C 1.492085 0.185967 0.918560
C -1.748211 0.782780 -0.560074
C 2.011798 -0.513098 2.056347
C 1.901078 -0.161726 -0.395282
C 2.929178 -1.562042 1.826274
C -2.839699 0.589746 0.302229
C -1.586787 0.108852 -1.780002
C 1.580114 -0.134556 3.459596
C 2.796117 -1.231849 -0.559740
C 3.327687 -1.948577 0.525220
C -3.819757 -0.355924 -0.071495
C -2.569116 -0.838878 -2.147803
C -3.666187 -1.060565 -1.287323
H 0.575915 1.768216 2.022294
H 1.571942 0.424872 -1.256786
H -2.938306 1.171317 1.224107
H -0.739665 0.327567 -2.436875
H 3.334702 -2.104608 2.687944
H 0.479111 -0.173834 3.569880
H 2.019064 -0.818894 4.203905
H 1.902767 0.890783 3.733897
H 4.027262 -2.773204 0.368151
H -4.686616 -0.534451 0.570058
H -2.477709 -1.387547 -3.088691


