%chk=000223213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223213

0 1
Br 0.518466 -1.176372 1.347407
Br -1.712899 3.765781 -0.115308
S 1.620388 1.803737 -0.728889
O 0.923518 1.396646 -1.928442
O 2.170511 3.139687 -0.596404
N 0.475415 1.737743 0.598615
N 5.694083 -2.212576 0.707555
C -4.717685 -0.743587 -0.043294
C -3.341891 -0.091490 0.130350
C -5.463464 -0.106415 -1.231505
C -5.506142 -0.512127 1.260130
C -4.594521 -2.255193 -0.311321
C -3.195581 1.294718 -0.063888
C -2.226226 -0.839650 0.536895
C -0.809908 1.148074 0.439670
C -0.988220 -0.220128 0.698596
C -1.952238 1.896784 0.094179
C 2.811408 0.649548 -0.330755
C 2.728623 -0.654861 -0.845046
C 3.876664 0.995157 0.514760
C 3.689562 -1.605878 -0.530196
C 4.850928 0.065241 0.849440
C 4.759365 -1.252314 0.331128
H -4.872334 -0.169915 -2.152636
H -5.692204 0.950721 -1.058735
H -6.416793 -0.612227 -1.418534
H -5.631548 0.554964 1.472957
H -6.506094 -0.954515 1.203433
H -4.996968 -0.958057 2.121510
H -4.146397 -2.789482 0.533143
H -3.984013 -2.455216 -1.199283
H -5.578318 -2.705072 -0.485929
H -4.061181 1.901642 -0.342395
H -2.323032 -1.908906 0.740082
H 0.458515 2.575443 1.208932
H 1.900452 -0.922939 -1.514635
H 3.947697 2.016645 0.908709
H 3.615035 -2.611119 -0.933216
H 5.669001 0.342770 1.506831
H 5.738544 -3.089396 0.217461
H 6.540683 -1.934166 1.173126


%chk=000223213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223213

0 1
Br 0.196917 -1.816501 0.965068
Br -1.780437 3.684123 0.520783
S 1.602138 1.453021 -0.667485
O 0.824058 0.779456 -1.932731
O 2.056441 3.024868 -0.649097
N 0.371453 1.324965 1.002943
N 6.571669 -1.804998 0.466402
C -5.051609 -0.631993 -0.048433
C -3.614651 -0.132781 0.222389
C -5.515246 -0.108858 -1.442544
C -6.005164 -0.080217 1.054742
C -5.144929 -2.179037 -0.048145
C -3.354850 1.264688 0.277277
C -2.522319 -1.014112 0.415788
C -0.927246 0.877349 0.706584
C -1.229658 -0.518879 0.656473
C -2.057085 1.740388 0.493800
C 3.112133 0.435096 -0.298886
C 3.216438 -0.854538 -0.851184
C 4.122549 1.005004 0.498609
C 4.379611 -1.599692 -0.599455
C 5.280813 0.252833 0.753772
C 5.425655 -1.062395 0.212972
H -4.857300 -0.487823 -2.245287
H -5.506346 0.994648 -1.490484
H -6.547180 -0.448960 -1.648014
H -6.011708 1.024129 1.078237
H -7.039769 -0.419162 0.861241
H -5.703326 -0.439704 2.055270
H -4.843791 -2.609207 0.925029
H -4.518471 -2.629270 -0.840121
H -6.189884 -2.484231 -0.237286
H -4.167909 1.981446 0.133590
H -2.673271 -2.094627 0.388760
H 0.376727 2.349360 1.200520
H 2.411233 -1.251817 -1.476612
H 4.014217 2.022288 0.887296
H 4.485170 -2.601783 -1.030823
H 6.081101 0.680200 1.368607
H 6.683119 -2.740379 0.085490
H 7.321907 -1.429199 1.039441


