%chk=000209411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209411

0 1
Cl 0.589789 5.323327 1.000900
S -3.117536 1.466316 1.630591
N 2.258511 -1.858941 0.342407
N 5.088946 -1.210941 0.206771
N -1.434558 0.022650 -0.542112
N 0.239638 1.704763 -0.597756
C 3.204280 -2.269633 1.433007
C 2.738386 -0.577335 -0.271093
C 0.856728 -1.724916 0.862214
C 4.608218 -2.487608 0.832398
C 4.138380 -0.791186 -0.876575
C -0.132591 -2.098465 -0.256483
C -0.475139 -0.928585 -1.187147
C 6.463564 -1.391294 -0.349071
C -2.800686 -0.374575 -0.409145
C -0.969243 1.271376 -0.092171
C -3.673383 0.249678 0.503095
C -1.702757 2.078570 0.820144
C -3.315034 -1.404066 -1.228579
C -5.016534 -0.117397 0.589016
C -1.245732 3.346393 1.156830
C -4.653528 -1.781141 -1.124634
C -5.509982 -1.142777 -0.221675
C 0.696000 2.926820 -0.238379
C -0.027210 3.774850 0.615282
H 2.843268 -3.224348 1.869927
H 3.263489 -1.524322 2.256082
H 2.767133 0.264615 0.454903
H 2.020333 -0.283362 -1.076218
H 0.707472 -2.426046 1.712145
H 0.631058 -0.711567 1.258232
H 5.314539 -2.762294 1.644033
H 4.578267 -3.336481 0.115168
H 4.078968 -1.525685 -1.708618
H 4.502725 0.166652 -1.304311
H 0.305241 -2.919503 -0.865606
H -1.053240 -2.514864 0.197181
H -0.918854 -1.298809 -2.138934
H 0.468277 -0.389278 -1.478169
H 7.149639 -1.653715 0.472090
H 6.810614 -0.430191 -0.761238
H 6.552842 -2.156895 -1.133458
H -2.673131 -1.904948 -1.953498
H -5.683487 0.389530 1.290016
H -1.808770 3.994721 1.834421
H -5.035245 -2.580573 -1.760954
H -6.554043 -1.439737 -0.151873
H 1.666075 3.225217 -0.659352


%chk=000209411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209411

0 1
Cl 1.006733 5.350815 -0.657400
S -2.485411 1.603418 1.604507
N 2.025363 -1.615036 0.507057
N 4.899117 -1.252143 0.590411
N -1.254951 -0.219070 -0.610360
N 0.287986 1.403508 -1.411260
C 2.949812 -2.715358 0.140903
C 2.656797 -0.726733 1.514985
C 0.678570 -2.089699 0.903843
C 4.269126 -2.147251 -0.407658
C 3.974068 -0.156430 0.964619
C -0.192632 -2.478015 -0.313075
C -0.432966 -1.278487 -1.256475
C 6.214662 -0.753267 0.150642
C -2.627471 -0.482806 -0.309427
C -0.740109 1.099304 -0.567617
C -3.353429 0.308533 0.625436
C -1.269200 2.080975 0.326645
C -3.327142 -1.543086 -0.949884
C -4.717705 0.077857 0.885513
C -0.769230 3.394046 0.284873
C -4.685381 -1.798358 -0.664846
C -5.393071 -0.988872 0.249287
C 0.819541 2.656362 -1.411727
C 0.296995 3.676104 -0.597072
H 2.477451 -3.345970 -0.634523
H 3.175267 -3.365585 1.024452
H 2.871599 -1.270332 2.469325
H 1.961535 0.104549 1.736129
H 0.733586 -2.956920 1.609362
H 0.171826 -1.268353 1.445147
H 4.965388 -2.978336 -0.629275
H 4.055196 -1.608386 -1.366869
H 3.738455 0.501157 0.087869
H 4.458406 0.466862 1.739909
H 0.299878 -3.277877 -0.900036
H -1.149637 -2.896864 0.053003
H -0.895983 -1.600960 -2.209116
H 0.534631 -0.817676 -1.503748
H 6.885750 -1.606055 -0.058216
H 6.671460 -0.148168 0.954665
H 6.163364 -0.119515 -0.771663
H -2.812579 -2.171743 -1.680866
H -5.244816 0.723433 1.596027
H -1.176874 4.167403 0.941759
H -5.189338 -2.629011 -1.170694
H -6.448388 -1.179274 0.467632
H 1.665446 2.835308 -2.082388


