%chk=000227702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227702

0 1
Cl 5.120758 -2.977940 -0.266294
S 0.398390 2.289057 0.161910
O 0.140634 3.602259 0.693642
O 0.452958 2.050128 -1.257562
O -5.124193 0.957675 0.216245
O -3.425686 -2.945742 -1.594980
N -2.500308 -1.442822 -0.031646
N -4.607432 -1.046530 -0.850512
N 1.896783 1.849199 0.895264
C -2.898064 -0.110151 0.510270
C -2.001030 1.050027 0.060037
C -0.714018 1.118092 0.875237
C -4.348612 0.070793 -0.016973
C -3.482425 -1.943199 -0.931690
C 2.683889 0.715774 0.560380
C 3.755576 0.370325 1.416182
C 2.395632 -0.076242 -0.568494
C 4.510830 -0.770372 1.156086
C 3.153850 -1.219578 -0.821684
C 4.194961 -1.559473 0.045298
H -2.929046 -0.181659 1.631191
H -2.573762 2.003269 0.167032
H -1.776418 0.960386 -1.029435
H -0.946541 1.380792 1.931497
H -0.247909 0.112430 0.955654
H -1.517168 -1.634312 -0.199079
H -5.491214 -1.225131 -1.321853
H 2.348783 2.525616 1.528566
H 3.995390 0.989488 2.278254
H 1.623888 0.215600 -1.288329
H 5.339158 -1.046250 1.811074
H 2.940144 -1.836910 -1.696689


%chk=000227702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227702

0 1
Cl 7.184892 -1.233364 -0.782060
S 0.533315 1.270990 0.078852
O 0.346358 2.882930 0.272410
O 0.876752 0.631967 -1.379787
O -5.082360 2.032921 -0.604305
O -5.260811 -2.678642 -0.844664
N -3.751216 -1.176348 0.226792
N -5.460565 -0.292710 -0.927397
N 1.829986 0.465256 1.453641
C -3.593438 0.276264 0.392502
C -2.260321 0.866034 -0.139412
C -1.077553 0.418690 0.719853
C -4.795650 0.828338 -0.427342
C -4.856427 -1.534860 -0.541815
C 3.090549 0.123972 0.898142
C 4.272701 0.867905 1.188987
C 3.177298 -1.022189 0.055856
C 5.522295 0.446561 0.697359
C 4.419042 -1.430947 -0.464333
C 5.576264 -0.696411 -0.128501
H -3.733515 0.580893 1.449844
H -2.355005 1.968164 -0.120520
H -2.112116 0.551808 -1.188570
H -1.141301 0.741594 1.771888
H -0.827915 -0.651287 0.645808
H -3.177578 -1.887204 0.675736
H -6.291621 -0.258390 -1.518414
H 1.911586 1.271373 2.109373
H 4.211337 1.769699 1.810168
H 2.269785 -1.583583 -0.181404
H 6.433674 1.002010 0.934963
H 4.489358 -2.306835 -1.115054


