%chk=000242657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242657

0 1
Br 7.856505 1.479417 0.293097
S 1.081030 0.382690 -0.140242
N -3.878962 0.818351 -0.417643
N -1.829369 1.868467 -0.329524
N -3.097392 -1.552082 -0.268137
N -0.617086 -1.686655 -0.132619
N -1.982659 -3.620195 -0.009701
C -5.343987 0.652368 -0.421914
C -2.927316 -0.193875 -0.305858
C -5.926063 0.848902 0.988202
C -1.641275 0.478919 -0.262977
C -3.148935 2.056667 -0.410096
C -0.502211 -0.347433 -0.177677
C -7.444754 0.723337 0.968842
C 2.212775 -1.041480 -0.015159
C -1.909494 -2.242910 -0.158538
C 3.569221 -0.427987 0.058586
C 4.128073 -0.096465 1.304425
C 4.296821 -0.178052 -1.117141
C 5.402090 0.472294 1.378263
C 5.571468 0.390461 -1.051669
C 6.109807 0.706931 0.197415
H -5.785852 1.379392 -1.139624
H -5.585651 -0.371592 -0.799711
H -5.628687 1.836145 1.393698
H -5.490038 0.097546 1.679831
H -3.656437 3.008545 -0.477160
H -7.912406 1.476157 0.323815
H -7.861138 0.855885 1.975698
H -7.768042 -0.263614 0.615433
H 2.084753 -1.715597 -0.886322
H 1.963292 -1.658041 0.873070
H 3.565722 -0.277252 2.221072
H 3.866371 -0.422440 -2.088657
H 5.830572 0.728633 2.348256
H 6.131401 0.583275 -1.967866
H -2.858320 -4.081664 -0.208383
H -1.140827 -4.164449 -0.124784


%chk=000242657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242657

0 1
Br 8.179167 0.959972 0.516904
S 1.065098 0.714896 -0.363694
N -3.976263 0.961355 -0.461518
N -1.973174 2.094609 -0.556383
N -3.131761 -1.345502 -0.190911
N -0.666881 -1.422144 -0.156704
N -1.956264 -3.366300 0.038697
C -5.427135 0.711521 -0.404114
C -2.977499 -0.004010 -0.335925
C -5.962123 0.622005 1.043853
C -1.740546 0.714277 -0.401034
C -3.311664 2.198828 -0.584754
C -0.566979 -0.076816 -0.301176
C -7.480510 0.349391 1.069803
C 2.179096 -0.835551 -0.170023
C -1.926686 -1.996707 -0.108546
C 3.612771 -0.396158 -0.008877
C 4.117705 -0.025752 1.264445
C 4.486728 -0.346630 -1.124480
C 5.461161 0.376272 1.429244
C 5.834698 0.052820 -0.980899
C 6.304786 0.408496 0.299399
H -5.937199 1.523036 -0.955788
H -5.624354 -0.237953 -0.934335
H -5.734725 1.565685 1.576246
H -5.421832 -0.186392 1.570461
H -3.860412 3.131871 -0.698771
H -8.045012 1.154262 0.562139
H -7.850459 0.284073 2.108259
H -7.723876 -0.604844 0.566168
H 2.018591 -1.453168 -1.066390
H 1.790788 -1.378132 0.704959
H 3.454744 -0.047544 2.136903
H 4.114346 -0.621246 -2.118084
H 5.840719 0.657396 2.415521
H 6.500526 0.085078 -1.847819
H -2.852642 -3.842514 0.076720
H -1.079927 -3.875879 0.098805


