%chk=000240680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240680

0 1
Cl 1.182161 1.323039 -2.706495
P 0.586465 2.316275 -1.057597
O 0.672886 1.002383 0.063145
O -1.076633 1.928552 -1.420935
O 0.966690 3.712865 -0.975687
N 2.523143 0.028652 1.369147
N -3.199028 2.252334 -0.218810
N 2.812247 1.675243 -0.307147
N -1.079007 2.788579 0.691883
C 4.019651 0.165892 1.166984
C -3.444153 2.623766 1.230013
C 1.947922 -1.329445 1.518431
C -3.895783 1.060013 -0.761154
C 4.190711 1.339995 0.137960
C -2.045921 3.071930 1.784595
C 1.994288 0.885435 0.363878
C -1.775680 2.303431 -0.318551
C 2.221519 -2.263246 0.362819
C -3.555544 -0.238382 -0.067066
C 1.602118 -2.046666 -0.877035
C -2.321925 -0.859415 -0.314682
C 3.089448 -3.351121 0.527144
C -4.466333 -0.828340 0.819340
C 1.853372 -2.912016 -1.944229
C -2.003704 -2.061511 0.320988
C 3.334135 -4.217719 -0.542826
C -4.144168 -2.032930 1.452791
C 2.718296 -3.999422 -1.778748
C -2.914480 -2.650266 1.205263
H 4.484999 -0.769149 0.804677
H 4.459806 0.420885 2.150576
H -3.869152 1.788894 1.816050
H -4.168875 3.461100 1.233142
H 0.843274 -1.208500 1.661717
H 2.338854 -1.743356 2.477546
H -3.636643 0.994980 -1.848645
H -4.989638 1.270235 -0.718361
H 4.659391 2.229614 0.605654
H 4.804861 1.051615 -0.737640
H -2.029481 4.154134 2.025596
H -1.752418 2.515323 2.695770
H 0.929744 -1.196608 -1.014793
H -1.608540 -0.398445 -1.002309
H 3.573135 -3.528492 1.485742
H -5.427684 -0.357085 1.013917
H 1.375920 -2.735893 -2.908075
H -1.045593 -2.542658 0.123536
H 4.007208 -5.063720 -0.412057
H -4.854549 -2.490895 2.139070
H 2.911871 -4.673066 -2.611805
H -2.666680 -3.588818 1.697473


%chk=000240680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240680

0 1
Cl 0.559376 2.415353 -3.280532
P 0.521040 2.929638 -1.102314
O 1.240020 1.536824 -0.326965
O -1.125473 2.374631 -0.885440
O 0.918626 4.399823 -0.717732
N 3.133024 0.407510 0.513313
N -3.026088 2.007228 0.469232
N 3.452478 2.070254 -1.078706
N -1.084796 2.806186 1.477467
C 4.583524 0.285103 0.205095
C -3.352296 1.942018 1.922963
C 2.356261 -0.556363 1.295930
C -3.715389 1.186699 -0.545196
C 4.818116 1.547245 -0.715047
C -2.123925 2.696586 2.561482
C 2.629436 1.381575 -0.333753
C -1.698776 2.414042 0.393001
C 2.232289 -1.940862 0.651447
C -3.579900 -0.320366 -0.310304
C 1.836274 -2.074042 -0.704588
C -2.309902 -0.949766 -0.397184
C 2.487145 -3.110042 1.408211
C -4.713001 -1.106913 0.011158
C 1.695460 -3.352163 -1.288378
C -2.177612 -2.335934 -0.163334
C 2.343275 -4.391961 0.827710
C -4.585410 -2.497029 0.241805
C 1.947357 -4.516477 -0.523394
C -3.316528 -3.113596 0.156962
H 4.790243 -0.666496 -0.324038
H 5.185400 0.311974 1.131069
H -3.415120 0.885900 2.254582
H -4.315727 2.438119 2.133719
H 1.353709 -0.111659 1.438025
H 2.812714 -0.654933 2.300025
H -3.286231 1.468790 -1.522676
H -4.783630 1.472581 -0.554482
H 5.373118 2.340333 -0.181634
H 5.376114 1.294948 -1.631640
H -2.403099 3.714740 2.889005
H -1.708200 2.159340 3.429972
H 1.636666 -1.176956 -1.303224
H -1.425686 -0.354301 -0.655051
H 2.799438 -3.019282 2.456464
H -5.700292 -0.631744 0.077771
H 1.389838 -3.441058 -2.336964
H -1.190958 -2.807597 -0.235098
H 2.545041 -5.288050 1.425387
H -5.470995 -3.094206 0.487131
H 1.839688 -5.507859 -0.977354
H -3.214135 -4.189785 0.336301


