%chk=000218769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218769

0 1
Cl -7.256737 -2.647358 0.299680
S 8.701870 0.340883 -1.134755
S 9.369931 0.247046 0.808308
O -2.506699 -1.064756 -0.006438
O 8.223694 1.271774 1.483362
O 9.121914 -1.047965 1.340604
O 10.612042 0.933293 0.927296
N 4.784745 -0.602050 -0.577306
N -4.117451 0.632270 0.133512
C 1.032391 0.105524 -0.215283
C 2.330380 -0.703708 -0.322750
C -0.188860 -0.818980 -0.164517
C 3.555015 0.224526 -0.368448
C -1.474964 -0.007215 -0.062907
C 6.027371 0.231325 -0.538351
C 7.165397 -0.635760 -1.072695
C -3.800081 -0.670101 0.090070
C -6.489257 -0.035758 0.288351
C -5.465914 0.961625 0.232961
C -4.749204 -1.752051 0.138848
C -6.067831 -1.403388 0.236698
C -7.849080 0.379717 0.390056
C -5.822514 2.346830 0.280205
C -8.166416 1.716218 0.433801
C -7.143450 2.706137 0.378268
H 0.947150 0.796538 -1.077751
H 1.059344 0.746592 0.688094
H 2.313422 -1.337289 -1.233972
H 2.411864 -1.407358 0.528107
H -0.117930 -1.516931 0.694908
H -0.225774 -1.469100 -1.062925
H 3.466837 0.925356 -1.229090
H 3.599465 0.848399 0.550480
H -1.551748 0.594996 0.857664
H -1.677371 0.621446 -0.946011
H 4.839127 -1.330846 0.144535
H 6.263709 0.622236 0.480307
H 5.883641 1.124090 -1.189772
H 6.954097 -0.971435 -2.112654
H 7.307055 -1.561159 -0.475994
H -4.394142 -2.779801 0.097084
H -8.636039 -0.375182 0.432805
H -5.022678 3.087124 0.236126
H -9.203380 2.039021 0.511421
H -7.430892 3.757811 0.415225
H 8.543752 1.955414 2.095444


%chk=000218769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218769

0 1
Cl -7.515512 -2.796500 0.269711
S 8.682178 0.538548 -1.430822
S 9.790616 -0.047586 0.711766
O -2.636371 -1.196957 0.052985
O 9.600184 1.615435 1.526364
O 8.810443 -1.096234 1.473787
O 11.374583 -0.369475 0.647245
N 4.766955 -0.306540 -0.415843
N -4.255621 0.524392 0.125666
C 0.933709 0.138300 -0.135755
C 2.296589 -0.578567 -0.259200
C -0.249408 -0.855933 -0.092878
C 3.481653 0.405616 -0.297263
C -1.594453 -0.134877 0.002567
C 5.983525 0.498528 -0.578616
C 7.123301 -0.420916 -1.055624
C -3.955720 -0.778547 0.113105
C -6.671814 -0.101071 0.229313
C -5.598867 0.878086 0.182888
C -4.924595 -1.842048 0.156794
C -6.258568 -1.478560 0.213738
C -8.027526 0.343068 0.285539
C -5.935877 2.266736 0.195489
C -8.324035 1.709768 0.295832
C -7.272290 2.675504 0.250684
H 0.805602 0.831802 -0.992757
H 0.926250 0.765755 0.779516
H 2.317640 -1.198217 -1.176337
H 2.421418 -1.273384 0.598196
H -0.141060 -1.534837 0.774912
H -0.242291 -1.489869 -1.000252
H 3.382793 1.075872 -1.174525
H 3.447982 1.061171 0.608076
H -1.676544 0.487073 0.913720
H -1.789271 0.514036 -0.871622
H 4.870800 -1.083999 0.249003
H 6.306695 1.029435 0.346918
H 5.782629 1.274818 -1.341625
H 6.848943 -0.977898 -1.970618
H 7.381946 -1.160045 -0.267852
H -4.591007 -2.880709 0.143412
H -8.828830 -0.401841 0.320160
H -5.113272 2.987318 0.160248
H -9.366183 2.043192 0.338759
H -7.516839 3.743327 0.259529
H 10.305321 1.674834 2.238270


