%chk=000274727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274727

0 1
Cl -1.465999 3.302257 -0.766645
S 4.388632 -1.836844 -3.794784
F 5.393639 -1.122603 -4.788242
O -0.391816 3.013878 1.812362
O 3.390651 2.782862 1.070046
O 5.248049 -2.632510 -2.968362
O 3.412822 -2.413783 -4.674077
N -2.593586 -1.695489 -0.260804
N -4.671296 -3.079783 -0.480757
N -2.446766 -4.095965 -0.547816
N -0.473283 -2.874674 -0.160356
N -4.408893 -5.426423 -0.372287
N 1.785312 4.436811 0.804956
N 2.016339 2.691227 -0.809299
C -4.127973 -1.718413 -0.517204
C -4.343995 -1.129548 -1.921283
C -4.825267 -0.895735 0.571175
C -1.994375 -0.515450 0.304300
C -1.872114 -2.907217 -0.338161
C -2.015029 0.681470 -0.437496
C -1.407268 -0.547648 1.584446
C -3.875613 -4.135522 -0.488322
C -0.872368 1.797864 1.401179
C -1.453360 1.825903 0.115195
C -0.840676 0.602711 2.132558
C 0.783919 4.547857 3.111406
C 0.389506 3.076405 3.055161
C 1.981237 4.888171 2.211101
C 2.461773 3.247702 0.432899
C 2.628204 1.611018 -1.486367
C 3.727056 -0.527751 -2.925817
C 2.027404 1.188824 -2.700586
C 3.777480 0.951961 -1.001408
C 2.583694 0.129581 -3.404822
C 4.315698 -0.105140 -1.723018
H -4.027709 -0.083807 -1.988831
H -5.410876 -1.178786 -2.183508
H -3.805413 -1.698690 -2.688256
H -5.916447 -1.017905 0.482592
H -4.602725 0.172422 0.505970
H -4.561592 -1.244854 1.577296
H -2.477006 0.707544 -1.430299
H -1.392218 -1.483563 2.150980
H -0.390981 0.560511 3.122121
H 0.022186 -2.059384 -0.498330
H 0.006873 -3.750484 -0.366777
H -0.096671 5.165736 2.822913
H 1.015226 4.832462 4.158465
H 1.251863 2.392152 2.965162
H -0.266179 2.779909 3.890720
H 2.133732 5.992493 2.176939
H 2.924124 4.448228 2.620225
H -5.384385 -5.538458 -0.614525
H -3.807762 -6.193910 -0.642455
H 0.817288 4.557994 0.476722
H 1.209310 3.122067 -1.276301
H 1.140551 1.688204 -3.085141
H 4.245626 1.275365 -0.062147
H 2.116912 -0.200143 -4.342291
H 5.208332 -0.618910 -1.341513


%chk=000274727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274727

0 1
Cl -0.132115 0.813681 -1.230290
S 7.449725 1.211278 -5.461750
F 6.950026 2.631979 -6.564955
O -0.277661 2.062549 1.458425
O 4.616892 3.322941 0.581252
O 8.947948 1.545200 -4.980916
O 7.090310 -0.115015 -6.299254
N -4.088894 -2.086235 0.693995
N -6.459012 -2.747272 0.371422
N -4.733725 -4.389581 0.967273
N -2.536470 -3.748142 1.399463
N -6.999151 -4.938979 1.008181
N 2.401746 2.680474 0.963565
N 3.442056 2.010018 -1.010743
C -5.420306 -1.803143 -0.056012
C -5.162723 -1.958094 -1.581325
C -5.897099 -0.377333 0.278668
C -3.119320 -1.051864 0.913894
C -3.817367 -3.417426 1.003398
C -2.204345 -0.685641 -0.113708
C -3.060990 -0.370094 2.154611
C -6.061815 -3.956111 0.749583
C -1.225935 1.046037 1.346912
C -1.283899 0.345841 0.114570
C -2.127953 0.664097 2.372131
C 0.911268 3.877658 2.560298
C -0.177437 2.813077 2.737630
C 2.321288 3.309999 2.289105
C 3.563272 2.720567 0.214786
C 4.411551 1.860382 -2.015667
C 6.237593 1.474581 -4.089988
C 4.058424 1.071876 -3.153613
C 5.709180 2.450861 -1.940323
C 4.968174 0.877072 -4.203605
C 6.624591 2.261074 -2.989789
H -4.456289 -1.194152 -1.955666
H -6.119419 -1.838809 -2.118368
H -4.767408 -2.965253 -1.804119
H -6.867526 -0.224791 -0.221144
H -5.189885 0.394933 -0.070830
H -6.056318 -0.269270 1.364932
H -2.223383 -1.207104 -1.074647
H -3.759881 -0.656461 2.946167
H -2.108779 1.175285 3.338376
H -1.763173 -3.091591 1.345383
H -2.381958 -4.713208 1.680737
H 0.624192 4.567935 1.746069
H 0.943562 4.468288 3.496443
H 0.082945 2.102217 3.548337
H -1.157303 3.279899 2.957929
H 3.077707 4.113043 2.321688
H 2.590737 2.582041 3.084507
H -7.984179 -4.734966 0.867975
H -6.684662 -5.833802 1.370528
H 1.553316 2.207196 0.634596
H 2.546593 1.541530 -1.179483
H 3.064258 0.613277 -3.213746
H 5.971309 3.044922 -1.063379
H 4.707458 0.269781 -5.075518
H 7.624055 2.704947 -2.945385


