%chk=000241879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241879

0 1
Cl 0.268269 -0.209608 -3.359882
S 2.072388 1.890289 -0.205937
S -0.388625 1.278715 0.998260
S 4.729877 0.996085 0.967994
S -3.058436 0.362773 2.136160
N 2.832777 -0.674289 0.270726
N -2.165028 -0.378575 -0.215816
C 0.484820 1.092900 -0.588127
C -0.134503 1.892851 -1.675267
C -0.285313 1.376879 -2.974254
C -0.584337 3.205815 -1.436956
C 3.106601 0.598157 0.315445
C -1.844502 0.354947 0.811131
C 5.044133 -0.708568 1.189271
C -4.066376 -0.717187 1.202190
C 3.912494 -1.459356 0.763831
C -3.428296 -1.009676 -0.035866
C -0.873561 2.119884 -4.002574
C -1.168539 3.958031 -2.457301
C 6.180701 -1.332666 1.692064
C -5.304767 -1.260244 1.525558
C 3.922287 -2.860190 0.847192
C -4.045966 -1.861275 -0.964121
C -1.317507 3.416825 -3.739156
C 6.179248 -2.726841 1.769583
C -5.910037 -2.106475 0.593827
C 5.063942 -3.478305 1.352538
C -5.287173 -2.401472 -0.633578
H 0.596455 -0.001423 -0.831264
H -0.486225 3.648069 -0.442496
H -0.983110 1.687781 -4.997755
H -1.513312 4.971089 -2.252088
H 7.045042 -0.755658 2.016051
H -5.789546 -1.035193 2.473762
H 3.053424 -3.432192 0.522260
H -3.554698 -2.083539 -1.910947
H -1.779024 4.005092 -4.531712
H 7.054697 -3.245409 2.159527
H -6.880587 -2.547559 0.818024
H 5.097820 -4.565630 1.428197
H -5.788408 -3.066550 -1.337196


%chk=000241879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241879

0 1
Cl 0.478570 0.083742 -3.437820
S 2.337625 2.197836 -0.592553
S -0.216822 1.800463 1.051593
S 4.897568 0.819150 0.594268
S -2.650974 0.318257 2.378001
N 2.533651 -0.443294 0.258223
N -1.789687 -0.151617 -0.142424
C 0.545377 1.559574 -0.685587
C -0.183545 2.275092 -1.794059
C -0.278323 1.707626 -3.090227
C -0.775245 3.550809 -1.599336
C 3.114702 0.718216 0.091219
C -1.538789 0.585894 0.912048
C 4.746424 -0.936395 1.049520
C -3.495334 -0.931102 1.359795
C 3.413919 -1.403394 0.798905
C -2.880761 -1.021508 0.066991
C -0.939200 2.356482 -4.150266
C -1.435045 4.222394 -2.648338
C 5.737967 -1.783012 1.578863
C -4.595091 -1.735416 1.711573
C 3.075330 -2.745065 1.089913
C -3.383476 -1.938688 -0.884655
C -1.520843 3.624086 -3.926156
C 5.381745 -3.121642 1.864109
C -5.085209 -2.646873 0.747440
C 4.064688 -3.595762 1.621947
C -4.484667 -2.746317 -0.535977
H 0.611399 0.471090 -0.837711
H -0.728218 3.999178 -0.600992
H -0.995428 1.877665 -5.132096
H -1.885529 5.203975 -2.469069
H 6.754553 -1.425898 1.768691
H -5.063103 -1.665517 2.698092
H 2.056721 -3.093563 0.896457
H -2.908264 -2.001758 -1.867910
H -2.037241 4.134145 -4.746111
H 6.135696 -3.799341 2.278496
H -5.940323 -3.283515 0.998415
H 3.815680 -4.637021 1.852079
H -4.883398 -3.460677 -1.264055


