%chk=000290430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290430

0 1
Br 6.024593 0.975909 -1.649126
S -4.106582 1.102646 -1.024016
O -0.398003 0.913855 2.294194
O -0.895215 -2.664580 -2.430782
N -2.048520 -0.595906 -1.078820
N -2.099363 0.952205 0.751042
C 0.975559 -1.293266 1.146654
C -0.275132 -0.723840 0.552465
C 2.206601 -0.753898 0.464940
C -0.854383 -1.171882 -0.594803
C -0.886991 0.432170 1.297300
C 3.065704 -1.607484 -0.240681
C 2.499864 0.617420 0.551755
C -2.611526 0.456203 -0.350197
C 4.205636 -1.095544 -0.870099
C 3.633813 1.136094 -0.074795
C -0.299064 -2.286240 -1.449483
C 4.473254 0.271228 -0.783556
C -4.545954 2.435802 0.149997
C -5.825814 3.034460 -0.382055
H 0.953614 -2.401582 1.144076
H 1.021747 -1.019194 2.235056
H -2.455956 -0.965050 -1.946072
H 2.865734 -2.675847 -0.293644
H 1.837718 1.277775 1.121115
H 4.872734 -1.762962 -1.417530
H 3.857611 2.202276 -0.005937
H 0.663700 -2.705776 -1.121345
H -4.659695 2.016013 1.170724
H -3.718883 3.173094 0.209133
H -5.709804 3.465786 -1.386762
H -6.650954 2.309095 -0.424680
H -6.164842 3.854120 0.271631


%chk=000290430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290430

0 1
Br 6.098567 1.276398 -1.555036
S -4.203977 0.970312 -1.119854
O -0.298836 0.989006 2.153467
O -1.207989 -2.995188 -2.281068
N -2.138682 -0.787528 -1.018761
N -2.087514 0.924579 0.637263
C 1.004461 -1.341060 1.132082
C -0.293263 -0.810902 0.545216
C 2.244296 -0.709186 0.483930
C -0.957138 -1.366946 -0.540956
C -0.873439 0.420778 1.175135
C 3.037253 -1.443787 -0.431748
C 2.616233 0.624885 0.791888
C -2.656942 0.338431 -0.401132
C 4.177433 -0.868062 -1.038449
C 3.751363 1.216136 0.193914
C -0.538139 -2.571760 -1.296893
C 4.517317 0.461330 -0.718128
C -4.480240 2.473447 0.019533
C -5.783393 3.166722 -0.392926
H 1.058945 -2.440293 1.047852
H 0.989757 -1.082848 2.206209
H -2.579298 -1.240571 -1.830654
H 2.783240 -2.483850 -0.672134
H 2.012654 1.198292 1.503820
H 4.786537 -1.445968 -1.739359
H 4.032255 2.244391 0.438909
H 0.383149 -3.084135 -0.955384
H -4.502606 2.085000 1.048583
H -3.594319 3.116464 -0.091336
H -5.743922 3.531979 -1.434188
H -6.655424 2.497460 -0.289160
H -5.947142 4.039573 0.265064


