%chk=000260742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260742

0 1
Br -2.876558 -3.535029 -0.489137
N 5.349210 0.037536 -0.147185
C -2.710130 0.576159 -0.005857
C -1.257479 0.267184 -0.018201
C -3.426133 -0.657550 -0.170439
C -0.251831 1.147002 0.111248
C 1.175275 0.816489 0.055750
C -1.168165 -1.209006 -0.186899
C -2.416946 -1.724932 -0.273809
C -3.397485 1.770464 0.122586
C 3.941458 0.222672 -0.031504
C -4.808920 -0.683460 -0.203711
C 2.044216 1.306429 1.046821
C 1.707434 0.039087 -0.986430
C 3.402069 1.009187 1.015713
C 3.065816 -0.257714 -1.034260
C -4.805824 1.738391 0.088534
C -5.496955 0.538197 -0.071243
C 6.141901 0.156081 1.107937
C 5.803662 -1.115163 -0.973285
H -0.470154 2.208358 0.276295
H -0.226948 -1.732336 -0.209270
H -2.874047 2.714722 0.246597
H -5.352012 -1.618749 -0.328348
H 1.647743 1.917465 1.858239
H 1.048450 -0.328415 -1.774924
H 4.048101 1.401219 1.798134
H 3.448178 -0.851592 -1.861596
H -5.358868 2.671330 0.189097
H -6.585748 0.538933 -0.094844
H 7.216986 0.106546 0.868906
H 5.912771 -0.622233 1.852484
H 5.962743 1.144901 1.566377
H 6.900900 -1.083620 -1.075451
H 5.386291 -1.026722 -1.992203
H 5.518499 -2.095937 -0.561720


%chk=000260742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260742

0 1
Br -3.480079 -3.365769 -1.558796
N 5.424381 -0.096015 0.065435
C -2.770480 0.451235 0.032449
C -1.369354 -0.034627 -0.095464
C -3.653786 -0.574879 -0.451170
C -0.263416 0.709248 0.291412
C 1.165335 0.452089 0.187496
C -1.460484 -1.390187 -0.663029
C -2.796201 -1.690358 -0.860868
C -3.307123 1.666091 0.502641
C 4.043441 0.088935 0.101831
C -5.050664 -0.395858 -0.461361
C 2.060498 1.308920 0.902748
C 1.769863 -0.578744 -0.599351
C 3.449994 1.140148 0.875664
C 3.157487 -0.756891 -0.646755
C -4.712778 1.847188 0.496687
C -5.576086 0.827562 0.019380
C 6.308595 0.800116 0.824225
C 6.005392 -1.174384 -0.747717
H -0.500814 1.669544 0.775644
H -0.632727 -2.071131 -0.847787
H -2.657115 2.468972 0.869800
H -5.712365 -1.185733 -0.833215
H 1.639795 2.123761 1.505817
H 1.146011 -1.226287 -1.220036
H 4.077982 1.824849 1.451975
H 3.562438 -1.551355 -1.279685
H -5.139577 2.787156 0.864427
H -6.659382 0.991673 0.022717
H 7.354771 0.487179 0.684075
H 6.086245 0.769455 1.909551
H 6.218202 1.851929 0.485082
H 7.100032 -1.172619 -0.629756
H 5.778392 -1.046139 -1.825387
H 5.631074 -2.169181 -0.434277


