%chk=000213513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213513

0 1
Cl -0.987203 -3.498241 3.286720
S 4.281021 -0.724526 -1.689825
O -2.405801 2.810142 0.245166
O 1.524266 3.419151 0.061696
O 3.713490 1.583373 0.133551
N -1.471814 0.721897 0.424961
N 1.468327 1.178388 0.548915
C -0.574481 -0.150730 1.139198
C 0.822529 0.077473 1.213610
C -0.315980 2.682180 1.419435
C -1.496960 2.126371 0.655810
C 0.965759 2.516549 0.631702
C -2.427878 0.089950 -0.469684
C -1.130914 -1.266549 1.796574
C 1.629815 -0.804511 1.964369
C 2.752816 0.909347 -0.131555
C -0.299901 -2.130397 2.501945
C 1.079421 -1.912681 2.599608
C -1.965981 -0.911248 -1.343211
C -3.776526 0.477544 -0.468503
C 2.746376 -0.200709 -1.075334
C -2.869457 -1.532452 -2.205904
C -4.663625 -0.150964 -1.346417
C -4.217617 -1.157015 -2.208729
C 1.728934 -0.922048 -1.648232
C 2.201995 -1.911025 -2.574517
C 3.565354 -1.926424 -2.697825
H -0.487747 3.778164 1.583697
H -0.239408 2.252446 2.440792
H -2.208584 -1.451169 1.744776
H 2.704259 -0.617224 2.047598
H 1.710438 -2.598098 3.168408
H -0.909214 -1.190946 -1.353834
H -4.124449 1.278405 0.188018
H -2.520860 -2.310616 -2.884294
H -5.711626 0.150376 -1.356034
H -4.916903 -1.643874 -2.886162
H 0.667105 -0.778271 -1.442922
H 1.527124 -2.565158 -3.111611
H 4.162902 -2.571375 -3.323956


%chk=000213513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213513

0 1
Cl -1.971903 -2.589668 4.550747
S 4.406206 -0.707355 -2.116433
O -1.624749 2.405087 -0.911787
O 2.288811 2.554006 -0.132773
O 3.527465 -0.870411 0.838037
N -1.340352 0.425988 0.322786
N 1.559049 0.463875 0.657230
C -0.698900 -0.260287 1.415004
C 0.715901 -0.238478 1.597543
C 0.051295 2.421278 0.868657
C -1.053402 1.779822 0.020947
C 1.404888 1.862511 0.426491
C -2.363148 -0.293212 -0.423540
C -1.512484 -0.977599 2.329971
C 1.287571 -0.930150 2.696906
C 2.737868 -0.225181 0.098599
C -0.912463 -1.671964 3.389330
C 0.482569 -1.662862 3.590299
C -2.075138 -1.599898 -0.887807
C -3.626094 0.292257 -0.676880
C 2.857704 -0.158846 -1.353880
C -3.056830 -2.324727 -1.596149
C -4.598152 -0.437163 -1.395651
C -4.321399 -1.745859 -1.853770
C 1.926355 0.224764 -2.323864
C 2.413282 0.101373 -3.664225
C 3.719805 -0.375868 -3.726858
H 0.050960 3.500902 0.666635
H -0.114500 2.242071 1.946449
H -2.596856 -0.987644 2.193775
H 2.371671 -0.907131 2.823910
H 0.930814 -2.205515 4.426548
H -1.091936 -2.041810 -0.694020
H -3.838256 1.307141 -0.332892
H -2.830872 -3.335843 -1.951242
H -5.573955 0.018608 -1.594664
H -5.081257 -2.307819 -2.407287
H 0.922372 0.580262 -2.081209
H 1.825001 0.357586 -4.547657
H 4.332063 -0.556733 -4.609275


