%chk=000248845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248845

0 1
Cl -5.348109 -1.911819 1.695393
Cl -1.571469 -0.932134 -4.003347
Cl 4.496098 -2.073497 -1.087484
Cl 4.525485 -0.239318 1.092737
S 0.972903 4.626460 0.851851
O -0.787494 -0.634959 1.996161
O 1.831937 -1.092342 -1.391331
N -1.886576 -0.699195 0.013428
N 1.579698 -0.015817 0.604952
C 0.288253 0.589122 0.208099
C 0.144054 2.018195 0.764996
C -0.822956 -0.296246 0.824026
C -2.915627 -1.603774 0.594619
C -2.022178 -0.364734 -1.423053
C 1.120092 2.978568 0.103823
C -4.056767 -0.780007 1.197578
C -1.237122 -1.346956 -2.297784
C 2.256663 -0.845905 -0.277817
C 3.557047 -1.459224 0.259285
C -0.454615 5.342359 0.011030
H 0.237439 0.607587 -0.917699
H -0.902093 2.359172 0.615144
H 0.285576 2.013799 1.870029
H -2.445507 -2.235448 1.391868
H -3.292638 -2.301237 -0.186182
H -1.679522 0.679741 -1.609619
H -3.103369 -0.378884 -1.703197
H 0.977066 3.027803 -0.991062
H 2.173115 2.661243 0.262152
H 1.875633 0.137630 1.569681
H -3.724528 -0.221175 2.095653
H -4.491485 -0.061659 0.479743
H -0.134869 -1.285649 -2.136926
H -1.538391 -2.397572 -2.132186
H 3.338087 -2.298258 0.970545
H -0.302948 5.412465 -1.071311
H -0.587460 6.363037 0.398784
H -1.375221 4.784928 0.207222


%chk=000248845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248845

0 1
Cl -5.365920 -1.823944 2.076598
Cl -1.774413 -1.007572 -4.110756
Cl 4.896321 0.082781 0.128482
Cl 3.544560 -2.031574 1.908394
S 1.158662 4.689298 0.730509
O -0.805217 -0.598873 2.054038
O 1.957095 -1.014575 -1.521767
N -1.934839 -0.724352 0.023943
N 1.544832 -0.057178 0.572290
C 0.256087 0.541856 0.185818
C 0.147447 2.007752 0.691068
C -0.873459 -0.308282 0.817898
C -2.971786 -1.578028 0.662627
C -2.097064 -0.399719 -1.414414
C 1.231376 2.916453 0.084125
C -4.009325 -0.708766 1.390651
C -1.374309 -1.421701 -2.312684
C 2.288236 -0.787635 -0.315778
C 3.642447 -1.308168 0.180769
C -0.364084 5.302268 -0.194377
H 0.232638 0.519149 -0.915043
H -0.859110 2.389469 0.430459
H 0.214184 2.018362 1.795236
H -2.484887 -2.249582 1.388632
H -3.462023 -2.186678 -0.116477
H -1.733729 0.618285 -1.633101
H -3.175951 -0.404686 -1.650156
H 1.163046 2.954128 -1.018407
H 2.242056 2.562516 0.350376
H 1.775143 -0.083087 1.571609
H -3.568166 -0.194316 2.255256
H -4.516482 -0.000551 0.717888
H -0.277909 -1.374932 -2.225378
H -1.738902 -2.447041 -2.150480
H 4.017456 -2.096170 -0.481015
H -0.250955 5.109447 -1.273882
H -0.411251 6.388852 -0.022461
H -1.283603 4.833093 0.189310


