%chk=000293202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293202

0 1
Br -6.995509 0.216420 -0.394661
Cl 6.861993 -0.611070 0.641259
O -0.973639 3.581428 -1.979286
O -0.744990 5.111558 -0.361904
N 0.006068 -0.921345 -0.143659
N -0.707632 -2.864928 -1.027154
N 0.626826 -2.933397 -0.939176
C 0.030686 0.399169 0.424304
C -1.137955 -1.657300 -0.553552
C 1.113051 -1.770767 -0.409363
C 0.398420 0.593073 1.779357
C -0.325817 1.480467 -0.394862
C -2.523616 -1.197376 -0.494811
C 2.517882 -1.461166 -0.156633
C 0.409752 1.905037 2.281559
C -0.309804 2.774666 0.137028
C 0.770742 -0.551350 2.652223
C 0.060497 2.986893 1.476242
C -3.007451 -0.477503 0.609897
C -3.383986 -1.512682 -1.562005
C 3.038811 -0.180326 -0.406933
C 3.358108 -2.485763 0.318977
C -4.339050 -0.056002 0.640755
C -4.716247 -1.094279 -1.533206
C 4.386890 0.086748 -0.159871
C 4.706613 -2.225835 0.566535
C -0.680309 3.947627 -0.683880
C -5.176684 -0.366242 -0.433457
C 5.199534 -0.939998 0.327839
H -0.618918 1.320506 -1.440323
H 0.696280 2.079332 3.320679
H 0.798316 -0.288407 3.719135
H 0.076474 -1.401372 2.550731
H 1.773584 -0.937107 2.393990
H 0.069572 4.006695 1.877713
H -2.352032 -0.251001 1.450952
H -3.009314 -2.094952 -2.408998
H 2.397655 0.607402 -0.804948
H 2.952909 -3.489221 0.480058
H -4.714093 0.505259 1.498332
H -5.383015 -1.339866 -2.362317
H 4.800009 1.077766 -0.351286
H 5.365523 -3.014327 0.932868
H -1.232232 4.362832 -2.542450


%chk=000293202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293202

0 1
Br -7.246151 -0.252441 -0.354237
Cl 7.104172 -0.802160 0.448802
O -0.552988 3.779569 -2.067241
O -0.379981 5.291012 -0.309345
N 0.003144 -0.839889 -0.136046
N -0.723665 -2.781685 -1.021414
N 0.673325 -2.833608 -0.947808
C 0.024170 0.485434 0.439100
C -1.131826 -1.578186 -0.532120
C 1.114040 -1.662763 -0.411493
C 0.237783 0.640624 1.840066
C -0.172751 1.593217 -0.408934
C -2.550777 -1.197446 -0.456800
C 2.540778 -1.383333 -0.188264
C 0.250268 1.963140 2.355379
C -0.160456 2.900605 0.132026
C 0.447389 -0.554866 2.743567
C 0.055214 3.081574 1.522160
C -3.067279 -0.177064 0.387698
C -3.462705 -1.943471 -1.258436
C 3.095621 -0.078839 -0.071871
C 3.416943 -2.506283 -0.128407
C -4.450249 0.103827 0.419713
C -4.843453 -1.672852 -1.231839
C 4.482113 0.100496 0.122354
C 4.801064 -2.337576 0.061467
C -0.367535 4.105175 -0.716986
C -5.324689 -0.644159 -0.393110
C 5.315560 -1.031325 0.191656
H -0.338147 1.446089 -1.479538
H 0.412684 2.108998 3.428852
H 0.376616 -0.266271 3.804896
H -0.293959 -1.350367 2.547843
H 1.445553 -1.003930 2.580893
H 0.062292 4.099377 1.925274
H -2.408992 0.402673 1.038480
H -3.067603 -2.740988 -1.894283
H 2.464867 0.809305 -0.152104
H 2.991516 -3.507685 -0.240940
H -4.835483 0.890655 1.074031
H -5.531314 -2.251697 -1.854268
H 4.903874 1.105884 0.207629
H 5.466690 -3.203892 0.108923
H -0.691768 4.614416 -2.589627


