%chk=000180631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180631

0 1
Cl 4.682227 -1.890823 0.422842
Cl 1.581645 -3.762079 -3.529385
S 0.930562 3.744362 -1.848532
O 1.883641 1.564883 0.467376
O 4.002992 0.760424 0.776172
O -5.333670 -1.127208 -0.138249
O -3.926478 -0.010346 1.290043
N 0.984848 -0.755765 2.277024
N -0.620358 -2.346873 2.185596
N -3.816576 0.231399 -1.056168
C 2.620493 0.357859 0.738553
C 2.742979 2.551760 -0.169046
C 4.170370 2.009507 0.064559
C 2.286014 -0.098299 2.182037
C 2.375349 -0.685391 -0.328294
C 2.380834 2.672131 -1.639223
C 3.270880 -1.738982 -0.550540
C 1.201429 -0.625496 -1.096312
C -0.248150 -0.103127 2.449640
C 0.710197 -2.129155 2.104656
C 3.047642 -2.700769 -1.539700
C 0.947968 -1.574785 -2.088014
C 1.880352 -2.594699 -2.298756
C -1.219969 -1.101880 2.395467
C -0.436801 2.675634 -1.590945
C -1.170413 2.238450 -2.697258
C -0.816004 2.327103 -0.290750
C -2.293039 1.432494 -2.509524
C -1.936556 1.523871 -0.087467
C -2.673217 1.071300 -1.197634
C -4.301149 -0.263831 0.166736
C -6.010195 -1.769041 0.997613
C -6.921010 -0.778675 1.686787
H 2.531523 3.481520 0.406732
H 4.783173 2.634515 0.734752
H 4.728128 1.775121 -0.856964
H 2.317076 0.797123 2.849598
H 3.099429 -0.781884 2.531185
H 2.205113 1.675508 -2.090869
H 3.197219 3.143376 -2.223426
H 0.476909 0.176358 -0.902225
H -0.336806 0.954992 2.593782
H 1.471307 -2.875389 1.945454
H 3.759096 -3.510963 -1.708157
H 0.032635 -1.526784 -2.679068
H -2.292392 -1.000535 2.484223
H -0.872160 2.522068 -3.709178
H -0.224810 2.662622 0.567423
H -2.864628 1.093974 -3.370025
H -2.235706 1.242963 0.929179
H -4.287027 -0.084965 -1.910878
H -5.238772 -2.187031 1.669792
H -6.551772 -2.573825 0.465726
H -6.342242 0.007040 2.198126
H -7.590254 -0.276793 0.976185
H -7.545074 -1.268462 2.444531


%chk=000180631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180631

0 1
Cl 4.641880 -2.385259 0.360604
Cl 1.123808 -3.787905 -3.642819
S 0.879895 4.195174 -1.341836
O 2.052268 1.542250 0.488240
O 4.220847 0.677097 0.645437
O -5.309816 -1.224424 -0.243182
O -4.181601 0.055161 1.385839
N 1.240836 -0.786072 2.365591
N -0.378243 -2.352857 2.649282
N -3.738307 0.231963 -0.939885
C 2.807129 0.285280 0.708996
C 2.955743 2.522330 -0.194480
C 4.277879 1.726897 -0.387978
C 2.565246 -0.201612 2.159184
C 2.431005 -0.748722 -0.367454
C 2.365727 3.020317 -1.516921
C 3.158365 -1.939686 -0.612154
C 1.255808 -0.545519 -1.135574
C 0.016855 -0.100619 2.378551
C 0.946511 -2.142601 2.528511
C 2.780738 -2.867553 -1.604025
C 0.840717 -1.454990 -2.128952
C 1.621173 -2.602303 -2.355662
C -0.965869 -1.076677 2.552663
C -0.521057 3.001552 -1.212509
C -1.012607 2.341111 -2.363738
C -1.139829 2.771877 0.036608
C -2.081385 1.429099 -2.253406
C -2.219263 1.873857 0.158607
C -2.684891 1.179123 -0.989812
C -4.380561 -0.265271 0.187073
C -6.112210 -1.879214 0.832736
C -7.350258 -1.047359 1.176097
H 3.089518 3.364707 0.508012
H 5.182293 2.320968 -0.191254
H 4.331405 1.270426 -1.396866
H 2.714436 0.667968 2.820823
H 3.330275 -0.960293 2.392713
H 2.066028 2.179187 -2.163135
H 3.120852 3.628392 -2.048870
H 0.658959 0.347559 -0.933630
H -0.033651 0.975799 2.246519
H 1.718433 -2.909214 2.554874
H 3.370758 -3.771247 -1.774048
H -0.072271 -1.272631 -2.701602
H -2.044253 -0.940548 2.601051
H -0.564689 2.542732 -3.342553
H -0.762086 3.291372 0.922763
H -2.453451 0.917885 -3.150405
H -2.686583 1.686288 1.127185
H -4.041865 -0.187711 -1.821509
H -5.463390 -2.020673 1.714624
H -6.374760 -2.856131 0.396671
H -7.061196 -0.080084 1.620224
H -7.964283 -0.862541 0.277761
H -7.970210 -1.592157 1.912220


