%chk=000170330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170330

0 1
 Br  -2.113300       6.474300       1.489200    
 S   0.2790000       1.137900      -1.610800    
 P   -4.013000      -2.506900     -0.5201000    
 P   -3.824700     -0.2142000       1.313500    
 O   0.2498000      -1.704000     -0.4818000    
 O    2.689900      -3.416100     -0.8406000    
 O   0.9983000      -5.040200      0.6138000    
 O   -2.416100      -2.578600     -0.7686000    
 O   -4.170800      -1.735400      0.8918000    
 O   -4.434600      -4.027000     -0.1610000    
 O   -4.796900      -1.896500      -1.645500    
 O   -2.250500       2.642500      -1.955200    
 O   -4.877200      0.6602000      0.4532000    
 O   -4.393900     -0.1135000       2.822700    
 O   -2.384100      0.1695000       1.146100    
 O   -3.162800       4.761600     -0.7315000    
 N    2.622700       1.764000     -0.4723000    
 N    4.690500      -1.133900      0.1058000    
 N    5.963800      0.8015000      0.8409000    
 N    5.047700       2.999800      0.6781000    
 C    1.554400      -1.495900      0.1028000    
 C    2.127800      -2.886000      0.3553000    
 C   0.8679000      -3.639600      0.7292000    
 C  -0.1337000      -3.075700     -0.2680000    
 C    2.376500     -0.6052000     -0.8104000    
 C   -1.569100      -3.134900      0.2236000    
 C    3.716300     -0.2723000     -0.2078000    
 C    1.833200      0.8237000     -0.9103000    
 C    3.779600       1.100000     -4.3200001E-02
 C    4.934100       1.604400      0.4918000    
 C    5.778900     -0.5269000      0.6250000    
 C  -0.1780000       2.614000     -0.6742000    
 C   -1.533700       3.127900      -1.089800    
 C   -2.062600       4.357300     -0.3797000    
 C   -1.195300       4.964000      0.6880000    
 H    1.371000     -0.9991000       1.065800    
 H    2.890100      -2.921600       1.137700    
 H   0.5778000      -3.395000       1.758100    
 H  -7.5599998E-02  -3.582500      -1.239300    
 H    2.481400      -1.000600      -1.826800    
 H   -1.682300      -2.554400       1.144400    
 H   -1.865800      -4.170400      0.4162000    
 H    2.057500      -3.303200      -1.569000    
 H    1.311300      -5.240500     -0.2847000    
 H    6.603300      -1.173300      0.9020000    
 H  -0.2020000       2.357400      0.3883000    
 H   0.5589000       3.399700     -0.8620000    
 H    5.909300       3.345300       1.082100    
 H    4.201300       3.538400      0.8155000    
 H   -4.552300      -4.671400     -0.8910000    
 H   -1.012800       4.254300       1.496500    
 H  -0.2661000       5.350000      0.2656000    
 H   -4.810600       1.638600      0.4743000    
 H   -4.227000      0.7032000       3.339800    


%chk=000170330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170330

0 1
Br -0.214549 4.601674 2.530216
S 0.131088 0.899531 -2.243249
P -3.961186 -2.414334 0.434945
P -3.027701 0.587807 0.918345
O 0.249816 -2.032154 -1.190376
O 2.700814 -3.304529 -1.756769
O 1.315873 -5.405294 -0.698867
O -2.583969 -2.908736 -0.442181
O -3.430384 -1.006414 1.334790
O -3.904554 -3.502190 1.763164
O -5.285407 -2.293423 -0.401773
O -2.711354 2.607588 -1.812332
O -4.112943 0.875528 -0.347185
O -3.610505 1.359439 2.321808
O -1.477258 0.833565 0.602222
O -2.656148 3.582257 0.782159
N 1.803607 1.767293 -0.197757
N 4.214995 -0.812691 0.779765
N 4.730125 1.164258 2.134677
N 3.479496 3.151258 2.043831
C 1.421519 -1.742490 -0.318051
C 2.187238 -3.077203 -0.391729
C 1.044857 -4.102126 -0.126513
C -0.222283 -3.387580 -0.740376
C 2.208921 -0.523638 -0.834882
C -1.342316 -3.286590 0.288461
C 3.222205 -0.074600 0.215861
C 1.403358 0.776692 -0.988149
C 2.911473 1.258765 0.558444
C 3.691250 1.882567 1.574327
C 4.933985 -0.112396 1.720698
C -0.323719 2.752839 -2.123250
C -1.596046 2.919505 -1.311512
C -1.577020 3.518168 0.144141
C -0.241141 4.021121 0.618378
H 1.078494 -1.545408 0.718363
H 3.052396 -3.150425 0.279438
H 0.919168 -4.264567 0.959379
H -0.580798 -3.911494 -1.640830
H 2.704244 -0.795793 -1.786980
H -1.116093 -2.529283 1.063291
H -1.510049 -4.268835 0.765997
H 1.998020 -2.983926 -2.388383
H 1.942242 -5.256112 -1.461794
H 5.763514 -0.646071 2.193773
H 0.556836 3.273774 -1.721482
H -0.518929 3.047115 -3.166761
H 4.079872 3.487653 2.795368
H 2.672304 3.700626 1.758345
H -4.465078 -3.251177 2.540470
H 0.522689 3.218855 0.492625
H 0.067870 4.902786 0.025392
H -3.849525 1.633287 -0.966487
H -3.421814 2.340229 2.312495


