%chk=000265694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265694

0 1
Cl 5.308068 -1.986882 1.062589
S -0.947534 -1.273349 -0.475447
O -0.650938 -2.691478 -0.523711
O -0.298333 -0.404805 -1.452345
N -0.468522 -0.767987 1.105917
N 4.839614 1.472013 -1.722928
N 6.212113 0.022352 -0.361591
C 0.761012 -1.392302 1.675625
C 2.070201 -0.693064 1.277453
C 2.597809 -1.135158 -0.094359
C -0.741898 0.579764 1.539523
C -2.640462 -0.998961 -0.493063
C 3.805906 -0.344871 -0.488886
C -1.158899 0.775700 2.870179
C -0.632117 1.674494 0.664002
C -3.166731 0.134507 -1.125904
C -3.504104 -1.921231 0.111611
C 3.720368 0.773883 -1.365422
C 5.090981 -0.663403 -0.017733
C -5.412600 -0.571218 -0.538656
C -4.543260 0.350880 -1.149254
C -4.882014 -1.710592 0.092504
C -1.476102 2.061723 3.308793
C -0.960770 2.953347 1.118765
C -1.382578 3.152076 2.436683
C 2.430815 1.255493 -1.926406
C -6.884732 -0.335010 -0.548201
C 6.039264 1.073819 -1.214348
H 0.663392 -1.385240 2.785955
H 0.774367 -2.467980 1.371805
H 2.838906 -0.902343 2.050008
H 1.935654 0.408136 1.289755
H 2.824043 -2.222859 -0.090725
H 1.805514 -1.010383 -0.874002
H -1.240265 -0.073597 3.545966
H -0.275529 1.535920 -0.361710
H -2.494479 0.852619 -1.610648
H -3.099148 -2.816938 0.595970
H -4.945006 1.234868 -1.641447
H -5.547151 -2.431051 0.565430
H -1.800601 2.216019 4.337627
H -0.878374 3.802627 0.440596
H -1.633091 4.151601 2.785171
H 1.643768 0.469810 -1.943532
H 2.029836 2.089134 -1.329325
H 2.543155 1.630399 -2.956202
H -7.190544 0.248140 0.335421
H -7.216891 0.227385 -1.432469
H -7.462991 -1.269808 -0.529711
H 6.937177 1.640304 -1.509021


%chk=000265694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265694

0 1
Cl 5.214401 -2.571238 0.624463
S -0.991613 -1.287182 -0.654112
O -0.636824 -2.874543 -0.620939
O -0.442771 -0.387210 -1.910828
N -0.435840 -0.687290 1.024607
N 5.158780 1.564797 -1.344581
N 6.334300 -0.334619 -0.405350
C 0.724214 -1.426182 1.588635
C 2.110484 -0.811305 1.287413
C 2.567536 -1.031979 -0.183929
C -0.702670 0.676140 1.384323
C -2.850096 -1.031044 -0.543037
C 3.884550 -0.350295 -0.482158
C -0.911371 0.961568 2.763698
C -0.787624 1.732390 0.437040
C -3.436785 -0.058595 -1.365401
C -3.581009 -1.873181 0.310307
C 3.955543 0.947165 -1.092716
C 5.147470 -0.912988 -0.169497
C -5.628802 -0.722003 -0.446346
C -4.840455 0.087419 -1.305819
C -4.981275 -1.704467 0.351437
C -1.187173 2.278554 3.182707
C -1.095895 3.042384 0.868217
C -1.289315 3.327626 2.237734
C 2.713281 1.709195 -1.492752
C -7.132270 -0.534514 -0.368191
C 6.287973 0.897945 -0.991957
H 0.564286 -1.473424 2.682609
H 0.661005 -2.463626 1.209507
H 2.848087 -1.280188 1.966826
H 2.093575 0.269680 1.526344
H 2.664007 -2.118722 -0.363090
H 1.793835 -0.657954 -0.877328
H -0.870654 0.148618 3.495993
H -0.602042 1.528578 -0.622586
H -2.818184 0.543902 -2.037469
H -3.079717 -2.638555 0.910608
H -5.327104 0.837950 -1.938724
H -5.579173 -2.347571 1.007127
H -1.339283 2.482242 4.248639
H -1.164325 3.845516 0.125757
H -1.513939 4.347840 2.566024
H 2.099024 1.141036 -2.215551
H 2.066744 1.913396 -0.619122
H 3.013171 2.665814 -1.945850
H -7.396760 0.170906 0.443209
H -7.540203 -0.122941 -1.307223
H -7.649659 -1.486161 -0.156028
H 7.246861 1.383618 -1.192340


