%chk=000233794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233794

0 1
Br 7.683413 1.098294 0.861289
S 3.606558 -0.771693 0.670421
N -1.156142 -1.039969 -0.794298
N 0.561935 -1.978352 0.417259
N 0.060774 0.986563 -1.645755
N 2.387648 1.037111 -0.892601
C -2.514810 -0.813240 -1.322515
C -0.061626 -0.186429 -0.940794
C 1.016522 -0.797518 -0.184649
C -3.394722 -0.155640 -0.285818
C -0.724611 -2.101086 0.060334
C 2.251920 -0.113652 -0.204631
C -3.210421 1.200646 0.019801
C -4.393214 -0.893223 0.363989
C -4.026584 1.815304 0.972496
C -5.208734 -0.271287 1.314348
C 1.294025 1.537628 -1.580754
C 4.950528 0.426261 0.355266
C -5.026550 1.081174 1.619588
C 6.140936 -0.104111 1.112539
H -2.936480 -1.787164 -1.663906
H -2.441029 -0.163493 -2.233802
H -1.391506 -2.900790 0.356250
H -2.427216 1.771806 -0.483633
H -4.540298 -1.946382 0.133730
H 1.460578 2.481973 -2.125313
H -3.882438 2.868411 1.211634
H -5.986332 -0.843173 1.818811
H 5.137472 0.513784 -0.735999
H 4.645246 1.441160 0.687767
H -5.661881 1.562752 2.361469
H 5.967685 -0.158865 2.204497
H 6.467153 -1.101301 0.759680


%chk=000233794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233794

0 1
Br 7.701068 1.394357 0.710086
S 3.697244 -0.962759 0.687553
N -1.144619 -1.075808 -0.748242
N 0.566270 -2.108090 0.395400
N 0.059523 0.939043 -1.543240
N 2.404432 0.948417 -0.830363
C -2.496438 -0.796289 -1.290884
C -0.030030 -0.247148 -0.881209
C 1.025239 -0.905581 -0.169560
C -3.423300 -0.124884 -0.282706
C -0.728479 -2.165951 0.029971
C 2.277752 -0.238780 -0.174262
C -3.216964 1.232064 0.076174
C -4.496261 -0.841156 0.300994
C -4.068644 1.857188 1.012285
C -5.351211 -0.214806 1.237187
C 1.311618 1.474111 -1.473269
C 4.999882 0.386201 0.315352
C -5.137334 1.135430 1.595760
C 6.268557 -0.004868 1.061680
H -2.923581 -1.752566 -1.640348
H -2.339796 -0.145482 -2.169194
H -1.408989 -2.971676 0.298360
H -2.391124 1.790119 -0.381596
H -4.669165 -1.888580 0.022072
H 1.468110 2.428692 -1.982802
H -3.903450 2.905512 1.284290
H -6.179749 -0.776572 1.682397
H 5.142748 0.421769 -0.774317
H 4.586944 1.347359 0.653587
H -5.798487 1.622530 2.321011
H 6.141034 -0.014673 2.154347
H 6.704999 -0.951623 0.710188


