%chk=000239745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239745

0 1
Cl 7.985023 1.539092 0.516139
S 1.438576 0.360248 -0.177341
N -3.513487 0.685539 -0.668869
N -1.493312 1.781130 -0.497329
N -2.687205 -1.666492 -0.476155
N -0.212709 -1.745629 -0.233763
N -1.539411 -3.708544 -0.161355
C -4.973204 0.487330 -0.733638
C -5.621731 0.713031 0.640937
C -7.144313 0.545726 0.560022
C -2.545539 -0.304932 -0.511663
C -1.277685 0.396316 -0.416765
C -2.812036 1.939811 -0.635031
C -0.125296 -0.404276 -0.279366
C -7.802078 0.769333 1.919097
C -1.490191 -2.330392 -0.312778
C 2.595761 -1.038028 0.001835
C 3.933008 -0.392406 0.129132
C 4.430548 -0.044027 1.396889
C 4.701501 -0.128635 -1.017953
C 5.685462 0.555564 1.522830
C 5.957817 0.470580 -0.904110
C 6.430735 0.801935 0.367570
H -5.395066 1.183472 -1.493266
H -5.174590 -0.552753 -1.091246
H -5.368223 1.718890 1.028330
H -5.199571 -0.002334 1.376964
H -7.567099 1.254178 -0.179484
H -7.393882 -0.468630 0.188718
H -3.337146 2.879902 -0.727606
H -8.889584 0.645174 1.857741
H -7.434570 0.058387 2.668908
H -7.609240 1.777629 2.303644
H 2.519605 -1.717938 -0.870716
H 2.323120 -1.656300 0.881816
H 3.833960 -0.236792 2.289248
H 4.316069 -0.387216 -2.004698
H -2.395282 -4.189821 -0.395956
H -0.681631 -4.234256 -0.238604
H 6.075018 0.828351 2.503462
H 6.556878 0.677984 -1.790588


%chk=000239745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239745

0 1
Cl 8.382171 0.994121 0.612046
S 1.429908 0.702889 -0.360574
N -3.597317 0.890446 -0.789409
N -1.602199 2.041252 -0.803558
N -2.751464 -1.395502 -0.381096
N -0.293168 -1.443604 -0.188523
N -1.574970 -3.393891 -0.005956
C -5.047716 0.629542 -0.797172
C -5.658024 0.614214 0.622535
C -7.176729 0.329635 0.597580
C -2.599993 -0.058689 -0.566964
C -1.367584 0.670162 -0.582390
C -2.937344 2.129538 -0.917749
C -0.196035 -0.103323 -0.376605
C -7.794460 0.307680 2.012117
C -1.548344 -2.029938 -0.199836
C 2.540962 -0.829241 -0.043061
C 3.970682 -0.376350 0.115938
C 4.467732 0.020980 1.384604
C 4.847336 -0.338966 -0.998929
C 5.806720 0.439163 1.546113
C 6.190129 0.076572 -0.858763
C 6.647852 0.459006 0.416586
H -5.532107 1.404761 -1.419764
H -5.207437 -0.349175 -1.285145
H -5.467050 1.588310 1.115312
H -5.142553 -0.159356 1.223213
H -7.688558 1.097861 -0.017850
H -7.359332 -0.644200 0.099324
H -3.485965 3.051746 -1.100028
H -8.879076 0.099074 1.974485
H -7.321296 -0.471410 2.638426
H -7.654133 1.279098 2.522134
H 2.396434 -1.502523 -0.901171
H 2.138479 -1.316333 0.857666
H 3.802202 0.006878 2.255211
H 4.479193 -0.634709 -1.987952
H -2.467509 -3.878714 -0.008878
H -0.699605 -3.891022 0.127531
H 6.186250 0.741936 2.526180
H 6.862920 0.102284 -1.720627


