%chk=000237147.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237147

0 1
Br 3.907842 4.534133 -0.000317
Cl 4.490448 -3.948042 -1.067611
O 1.302945 3.101129 1.488885
O -6.111301 -0.536425 -0.269043
N 0.178110 -1.336516 -0.345515
C 1.547193 1.023090 0.403743
C 2.303942 -0.150478 0.067724
C 2.269979 2.301096 0.788988
C 1.566064 -1.311076 -0.311718
C 0.176777 0.986150 0.364742
C -0.497075 -0.231470 -0.008573
C -1.972510 -0.284411 -0.041513
C 3.731219 -0.221170 0.092135
C 2.735971 3.039789 -0.469364
C 2.257854 -2.514503 -0.673254
C 4.386241 -1.376838 -0.253036
C 3.626789 -2.518531 -0.637620
C -2.628172 -1.072374 -1.013543
C -2.731625 0.427931 0.899050
C -4.013510 -1.127785 -1.059752
C -4.127233 0.382828 0.875573
C -4.754545 -0.393607 -0.108138
C -6.984089 0.159718 0.654369
H 3.111832 2.088654 1.492602
H -0.408568 1.875730 0.615728
H 4.302799 0.657045 0.395733
H 3.291201 2.380558 -1.160571
H 1.871610 3.456237 -1.022774
H 1.672029 -3.390952 -0.961990
H 5.474702 -1.441120 -0.236856
H -2.033211 -1.644703 -1.731349
H -2.233060 1.020562 1.669020
H 1.707115 3.946257 1.787306
H -4.538339 -1.724431 -1.802882
H -4.698280 0.937873 1.611559
H -6.818205 -0.195843 1.675304
H -7.976545 -0.138434 0.290732
H -6.843589 1.240828 0.568227


%chk=000237147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237147

0 1
Br 3.840318 4.695267 0.330077
Cl 4.517113 -3.913136 -1.616698
O 1.365555 3.030582 1.791342
O -6.195419 -0.767334 -0.072050
N 0.190687 -1.306056 -0.449114
C 1.593732 0.993500 0.507121
C 2.343004 -0.140290 0.021035
C 2.305147 2.259389 0.980476
C 1.571076 -1.273155 -0.455244
C 0.202695 0.935589 0.511807
C -0.490102 -0.232885 0.030702
C -1.973969 -0.316957 0.029732
C 3.772784 -0.219775 -0.012197
C 2.758658 3.065843 -0.253547
C 2.252776 -2.429962 -0.959551
C 4.424384 -1.355259 -0.502154
C 3.642262 -2.447578 -0.976107
C -2.612307 -1.474089 -0.508913
C -2.799591 0.713792 0.550132
C -4.007225 -1.592959 -0.529021
C -4.206187 0.609562 0.538580
C -4.815491 -0.549308 -0.004481
C -7.079175 0.277286 0.454760
H 3.195690 1.990882 1.586216
H -0.340555 1.796074 0.904057
H 4.383493 0.609403 0.361806
H 3.429321 2.502938 -0.917944
H 1.898632 3.474914 -0.804413
H 1.650191 -3.268983 -1.315165
H 5.515917 -1.415778 -0.520533
H -1.975866 -2.269457 -0.906422
H -2.358467 1.617715 0.981823
H 1.800313 3.886972 2.042885
H -4.499284 -2.478753 -0.941643
H -4.807521 1.425029 0.950910
H -6.908255 0.438684 1.536563
H -8.098668 -0.101362 0.292439
H -6.942863 1.230554 -0.091265


