%chk=000291501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291501

0 1
Cl 0.680697 0.772974 2.090028
S 2.255937 2.457066 -0.925397
S 2.852809 -0.611703 -1.048002
O 2.884097 2.561992 -2.215510
O 1.046444 3.200648 -0.654473
O 2.452229 -1.225662 -2.289014
O 4.182599 -0.054435 -0.891878
O -4.284395 -0.920993 -2.380146
N 1.831169 0.758202 -0.727915
N -3.726560 -0.306202 -0.225094
C 0.429015 0.468475 -0.608229
C 3.387231 2.715921 0.343400
C 2.503212 -1.692982 0.248398
C -0.213886 0.465798 0.643012
C -0.340971 0.177585 -1.754415
C -2.330024 -0.067362 -0.391970
C -1.576474 0.206360 0.768922
C -1.700298 -0.092856 -1.652516
C 4.742270 2.422473 0.159095
C 2.863948 -1.361703 1.558823
C 2.939474 3.241014 1.563625
C 1.867938 -2.911401 -0.018776
C 5.652941 2.660593 1.196191
C 2.595864 -2.253063 2.602823
C 3.847017 3.476444 2.596854
C 1.597109 -3.801243 1.023695
C 5.205953 3.187378 2.409769
C 1.962189 -3.470711 2.333963
C -4.633779 -0.696861 -1.241666
C -6.042476 -0.818064 -0.744090
C -6.677088 -2.065129 -0.810299
C -6.727548 0.306409 -0.265890
C -8.000977 -2.188179 -0.378792
C -8.052539 0.176495 0.158910
C -8.687143 -1.069600 0.105744
H 0.146025 0.158613 -2.737626
H -2.042764 0.223676 1.752714
H -2.280854 -0.319293 -2.556800
H 5.094300 1.989307 -0.790503
H 3.359655 -0.409129 1.772454
H 1.875921 3.469863 1.704404
H 1.584665 -3.169779 -1.046992
H 6.707440 2.429960 1.050597
H 2.877548 -1.996475 3.622747
H 3.502204 3.888284 3.543203
H 1.103416 -4.749475 0.815912
H -4.090618 -0.180885 0.723722
H 5.915484 3.375503 3.216491
H 1.751697 -4.165599 3.148176
H -6.142755 -2.930643 -1.205511
H -6.237031 1.279885 -0.237927
H -8.499621 -3.155766 -0.427211
H -8.592653 1.048146 0.527101
H -9.720743 -1.167572 0.437967


%chk=000291501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291501

0 1
Cl 0.076126 0.734501 2.688384
S 1.997421 2.402091 -0.691663
S 2.754547 -0.830153 -0.808450
O 2.396174 2.457849 -2.269885
O 0.674280 3.192758 -0.158908
O 2.132204 -1.572333 -2.120583
O 4.168353 -0.033620 -0.874679
O -4.460382 -1.014058 -2.441429
N 1.566970 0.457106 0.081733
N -4.052678 -0.329986 -0.230929
C 0.184707 0.205749 -0.073896
C 3.464111 2.941311 0.363216
C 2.820264 -2.101597 0.586803
C -0.652303 0.328568 1.079034
C -0.460703 -0.107975 -1.313631
C -2.649085 -0.175737 -0.232454
C -2.035482 0.144194 1.012409
C -1.844262 -0.307199 -1.401460
C 4.750023 2.827852 -0.186634
C 3.613769 -1.807228 1.707083
C 3.181789 3.466174 1.634405
C 2.095829 -3.291772 0.417751
C 5.828830 3.290982 0.601300
C 3.676820 -2.780789 2.729995
C 4.278778 3.916898 2.405146
C 2.173370 -4.251149 1.454634
C 5.593829 3.829058 1.889177
C 2.957245 -3.993697 2.603904
C -4.896604 -0.687820 -1.298085
C -6.367338 -0.681376 -0.975953
C -7.213640 -1.459156 -1.808075
C -6.940046 0.080830 0.078001
C -8.602981 -1.498406 -1.574911
C -8.332637 0.044085 0.307073
C -9.166132 -0.751188 -0.513011
H 0.154069 -0.191241 -2.214799
H -2.637882 0.254971 1.920736
H -2.317498 -0.554468 -2.352090
H 4.897419 2.395735 -1.179926
H 4.165887 -0.864709 1.771146
H 2.150643 3.533037 1.994944
H 1.514876 -3.463763 -0.494176
H 6.848482 3.223371 0.208623
H 4.284989 -2.591250 3.620403
H 4.102857 4.336926 3.400895
H 1.626082 -5.194638 1.359999
H -4.509202 -0.193789 0.673836
H 6.437606 4.183349 2.491412
H 3.012156 -4.742348 3.401642
H -6.758158 -2.016730 -2.632779
H -6.325326 0.747672 0.696034
H -9.246794 -2.106548 -2.219113
H -8.767709 0.644395 1.113181
H -10.246364 -0.778441 -0.333283


