%chk=000245640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245640

0 1
Cl 6.587829 0.975069 -0.731525
Cl 4.729878 -3.248651 0.965307
S -2.698737 0.438889 1.091474
O -3.809743 -0.467469 -1.640418
O -4.909677 -1.717584 -0.131784
N 3.566009 -0.249261 -0.161760
N -6.598532 0.688835 0.018281
C 2.213880 0.142233 -0.129294
C 4.518008 0.224684 0.871087
C 3.992701 -1.434187 -0.937772
C -0.473538 1.026679 -0.159396
C 1.777269 1.160289 0.755005
C 1.276018 -0.426042 -1.027446
C -1.890117 1.484159 -0.173202
C 0.453733 1.586847 0.734684
C -0.042660 0.016359 -1.034828
C 5.264280 1.465122 0.374838
C 3.570037 -2.765320 -0.311785
C -4.377551 1.115001 1.194727
C -5.123014 0.758614 -0.095421
C -4.642153 -0.621730 -0.552624
H 3.984900 0.466593 1.822741
H 5.240937 -0.584449 1.136319
H 5.102216 -1.393479 -1.073425
H 3.566145 -1.359104 -1.968914
H 2.467802 1.614568 1.460234
H 1.575692 -1.200790 -1.726914
H -2.376759 1.323295 -1.158385
H -1.994686 2.554824 0.075214
H 0.133848 2.365838 1.428312
H -0.752643 -0.431505 -1.731820
H 5.726071 2.022835 1.210064
H 4.601464 2.151274 -0.189178
H 3.556042 -3.577941 -1.062264
H 2.567295 -2.708938 0.157531
H -4.374028 2.202386 1.378380
H -4.840657 0.644815 2.087342
H -4.885534 1.510901 -0.902170
H -6.892009 -0.060480 0.643541
H -6.979297 1.561334 0.370601
H -3.459517 -1.335015 -1.975959


%chk=000245640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245640

0 1
Cl 6.228662 1.666598 -1.102368
Cl 5.035097 -3.204393 1.062888
S -2.810236 0.033568 1.202372
O -4.667798 -0.880596 -1.683033
O -6.239296 -1.344907 -0.035718
N 3.772839 -0.319445 -0.045250
N -6.585511 1.530829 -0.062326
C 2.405116 0.018179 -0.060528
C 4.705938 0.337458 0.879275
C 4.311101 -1.346598 -0.946128
C -0.401590 0.721110 -0.096794
C 1.866619 0.997699 0.834552
C 1.491017 -0.600083 -0.971282
C -1.864189 1.077204 -0.112751
C 0.499896 1.327411 0.814069
C 0.128286 -0.248814 -0.983710
C 5.145617 1.745511 0.451427
C 4.043988 -2.791965 -0.499503
C -4.470567 0.947819 1.195191
C -5.254065 0.912331 -0.152099
C -5.456717 -0.539647 -0.585066
H 4.253017 0.415060 1.889355
H 5.594306 -0.304343 0.999302
H 5.397045 -1.188207 -1.052553
H 3.888457 -1.221983 -1.964426
H 2.508913 1.507889 1.558023
H 1.834417 -1.357692 -1.681344
H -2.323999 0.860020 -1.090364
H -2.035305 2.134451 0.156634
H 0.123717 2.072841 1.525361
H -0.540848 -0.744707 -1.697571
H 5.775793 2.223906 1.217626
H 4.300566 2.391882 0.175564
H 4.382038 -3.519248 -1.254389
H 2.994008 -2.966845 -0.225253
H -4.294515 1.999962 1.485548
H -5.065803 0.451337 1.981915
H -4.672335 1.426632 -0.934168
H -7.256123 1.003566 0.504593
H -6.591619 2.539043 0.103915
H -4.804734 -1.843333 -1.901588


