%chk=000248295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248295

0 1
Cl 5.917875 -1.956277 -1.584609
S 2.762396 0.258726 -0.270001
O -6.805799 3.146298 -0.488385
O -4.203304 -2.978168 0.884554
N -5.337571 0.397296 0.202867
N -2.092269 0.797568 -1.295992
N 0.019761 1.717126 -1.326244
N -1.507931 -1.409493 -0.238294
N 0.886476 -1.593438 0.228533
C -4.306727 1.365273 -0.284251
C -3.553905 0.693796 -1.455927
C -6.515357 1.087550 0.815019
C -4.752887 -0.621473 1.130670
C -1.241069 -0.154823 -0.733614
C -7.315274 1.820637 -0.274404
C -5.238561 -2.011960 0.674718
C 0.085696 0.434270 -0.767531
C -1.270270 1.919840 -1.627586
C 1.137982 -0.360821 -0.260837
C -0.413959 -2.063470 0.219786
C 3.750304 -1.098105 0.447359
C 5.116328 -0.524539 0.586664
C 6.167220 -0.847266 -0.286346
C 5.386079 0.379518 1.631742
C 7.445344 -0.298473 -0.141340
C 6.656744 0.935282 1.786332
C 7.687385 0.598238 0.900909
H -4.811793 2.293386 -0.651624
H -3.603706 1.696578 0.509194
H -3.832213 -0.389131 -1.534288
H -3.847094 1.160094 -2.422930
H -7.163168 0.308260 1.277814
H -6.238252 1.795461 1.625237
H -5.006707 -0.448792 2.195344
H -3.637902 -0.610606 1.095457
H -7.195016 1.348485 -1.271122
H -8.386949 1.879647 -0.019701
H -6.069130 -2.395372 1.292201
H -5.534305 -2.019902 -0.390616
H -1.683226 2.812575 -2.080327
H -0.562561 -3.076203 0.632205
H -6.975568 3.712585 0.288831
H -3.403635 -2.739764 0.356697
H 3.692532 -2.000434 -0.196487
H 3.323341 -1.417389 1.422551
H 4.588907 0.651039 2.325893
H 8.240807 -0.568499 -0.836632
H 6.846570 1.635677 2.599125
H 8.678062 1.034492 1.023283


%chk=000248295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248295

0 1
Cl 5.589980 -1.441133 -2.149502
S 2.786003 0.647272 -0.293838
O -5.913958 2.954263 -1.182324
O -3.659411 -2.076911 1.459123
N -5.716794 0.183883 0.324969
N -2.218818 0.943344 -0.927286
N -0.170806 1.980988 -1.125366
N -1.471708 -1.216205 0.037382
N 0.953659 -1.321993 0.312593
C -4.365218 0.782432 0.395578
C -3.674086 0.701840 -0.993780
C -6.841133 1.136158 0.315526
C -5.915502 -1.010302 1.186718
C -1.272402 0.040066 -0.454085
C -6.977501 1.946874 -0.988414
C -4.985074 -2.203684 0.862243
C -0.004505 0.692766 -0.588695
C -1.501103 2.087007 -1.310848
C 1.128930 -0.057125 -0.177614
C -0.309470 -1.834791 0.401129
C 3.803750 -0.831860 0.393568
C 5.254116 -0.434675 0.459620
C 6.165758 -0.651611 -0.603781
C 5.770730 0.183088 1.631539
C 7.524034 -0.287297 -0.526891
C 7.125831 0.559762 1.734255
C 8.005345 0.323926 0.652354
H -4.412570 1.844420 0.711446
H -3.761715 0.234012 1.141547
H -3.838086 -0.306960 -1.409487
H -4.124479 1.446103 -1.670751
H -7.775584 0.552819 0.431411
H -6.806901 1.853362 1.179503
H -6.959738 -1.350875 1.039716
H -5.789036 -0.782286 2.273149
H -6.888622 1.272707 -1.855160
H -7.972962 2.440051 -1.013059
H -5.441077 -3.110100 1.306539
H -4.941793 -2.345119 -0.239146
H -2.002940 2.958980 -1.725610
H -0.400030 -2.842585 0.814196
H -5.997733 3.643763 -0.475945
H -2.940321 -1.805520 0.795321
H 3.613147 -1.677393 -0.282001
H 3.384113 -1.058598 1.384130
H 5.085245 0.366754 2.466946
H 8.190124 -0.478169 -1.373050
H 7.494028 1.032923 2.650319
H 9.059984 0.610928 0.719710


