%chk=000212302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212302

0 1
Cl 0.609882 -3.826157 -0.677040
S -4.128343 -0.022620 -2.010208
O 7.033247 2.335954 -1.216140
N 4.621085 -0.061805 0.259093
N 1.696545 0.532354 0.149163
N -2.235707 0.302046 0.424592
C 3.616347 -1.066533 -0.234403
C 3.879573 0.545525 1.418317
C 3.251018 -1.800282 1.084012
C 3.422310 -0.725642 2.184566
C 2.373664 -0.367342 -0.847762
C 2.659851 1.375732 0.935011
C 5.137299 0.890443 -0.758852
C 0.678566 1.389518 -0.546592
C -0.336802 1.948292 0.464665
C 6.495819 1.414368 -0.256680
C -1.091613 0.843496 1.218881
C -2.008712 -0.806768 -0.426252
C -3.473586 1.009836 0.465082
C -2.872755 -1.123343 -1.498903
C -4.443322 0.882413 -0.548539
C -0.910953 -1.668031 -0.186558
C -3.774601 1.836674 1.571445
C -2.707643 -2.282056 -2.255993
C -5.677887 1.524871 -0.459245
C -0.752350 -2.798894 -0.977921
C -5.002015 2.493404 1.647374
C -1.633559 -3.141510 -2.003979
C -5.959602 2.340909 0.639655
H 4.082095 -1.742841 -0.980953
H 4.560824 1.182671 2.018880
H 3.925067 -2.654660 1.253015
H 2.222534 -2.193740 1.054687
H 4.181726 -1.029648 2.921805
H 2.481863 -0.552982 2.728750
H 2.667748 0.158710 -1.779037
H 1.625565 -1.140115 -1.137255
H 3.020708 2.262351 0.370029
H 2.103201 1.760357 1.815891
H 5.275395 0.358411 -1.724226
H 4.464033 1.749477 -0.971558
H 0.135950 0.760024 -1.289118
H 1.131736 2.228492 -1.117477
H -1.051486 2.606795 -0.070269
H 0.176045 2.597968 1.200797
H 6.398728 2.033321 0.653689
H 7.213891 0.597204 -0.071952
H -0.387524 0.010589 1.478455
H -1.474806 1.231675 2.191112
H 7.304476 1.868748 -2.028576
H -0.186435 -1.436194 0.604188
H -3.050880 1.957850 2.378152
H -3.409758 -2.521389 -3.058943
H -6.423703 1.397756 -1.246936
H -5.216779 3.128768 2.507151
H -1.489739 -4.044869 -2.591695
H -6.917128 2.851118 0.710002


%chk=000212302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212302

0 1
Cl -0.408729 -4.824985 1.047002
S -2.922488 0.031249 -2.360844
O 7.220192 2.417766 -1.048228
N 4.375017 0.058209 -0.207289
N 1.589408 0.961312 0.253907
N -1.972296 0.172688 0.552181
C 3.195756 -0.580325 -0.874560
C 3.831438 0.327700 1.162430
C 2.817156 -1.678231 0.158585
C 3.257649 -1.070006 1.533753
C 2.041602 0.441980 -1.065120
C 2.710035 1.405030 1.123250
C 5.073381 1.143744 -0.920727
C 0.491616 1.948892 0.150713
C -0.419266 1.962739 1.400359
C 6.516062 1.302520 -0.393617
C -1.057598 0.577102 1.649501
C -1.853182 -1.123870 -0.025329
C -3.133690 0.964679 0.287315
C -2.308608 -1.372693 -1.352493
C -3.741934 0.953880 -0.998445
C -1.297435 -2.211399 0.704535
C -3.726301 1.772922 1.295461
C -2.217113 -2.655049 -1.926511
C -4.909448 1.694881 -1.264270
C -1.172880 -3.468641 0.089248
C -4.874741 2.546285 1.020560
C -1.623056 -3.725449 -1.217318
C -5.476494 2.509138 -0.256628
H 3.488857 -0.993349 -1.856860
H 4.631981 0.656297 1.848732
H 3.370915 -2.607406 -0.057967
H 1.737412 -1.900443 0.132180
H 4.043506 -1.684119 2.005428
H 2.412086 -0.983516 2.238023
H 2.387924 1.262427 -1.744853
H 1.180185 -0.049465 -1.556297
H 3.136563 2.382200 0.777667
H 2.330053 1.569403 2.149593
H 5.113958 0.866321 -1.994410
H 4.573252 2.138892 -0.868727
H -0.126347 1.679053 -0.726517
H 0.881338 2.981957 -0.029685
H -1.192175 2.743043 1.272124
H 0.162640 2.235297 2.302681
H 6.516257 1.574522 0.674978
H 7.060062 0.343422 -0.511510
H -0.223002 -0.142177 1.666108
H -1.564426 0.542776 2.635984
H 7.324541 2.209934 -2.011053
H -0.980837 -2.084794 1.741786
H -3.292762 1.794689 2.299369
H -2.588995 -2.818613 -2.943143
H -5.361541 1.647265 -2.260625
H -5.304214 3.168700 1.813083
H -1.520250 -4.715204 -1.668349
H -6.371928 3.101521 -0.469763


