%chk=000244998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244998

0 1
Cl 5.208588 -0.680378 -2.461425
S 2.086023 0.449699 -0.037292
N -2.904856 0.428206 0.004803
N -0.956086 1.663464 -0.018351
N -1.897695 -1.859890 0.042197
N 0.587048 -1.766438 0.035766
N -0.584971 -3.820382 0.202218
C -4.356526 0.108901 0.013673
C -5.018665 0.651157 -1.269101
C -5.013095 0.696226 1.279364
C -6.520499 0.339044 -1.253593
C -6.514959 0.383944 1.281402
C -7.196260 0.898533 0.005884
C -1.855894 -0.490873 0.021716
C -2.290115 1.727604 -0.018598
C -0.636673 0.296673 0.005488
C 0.576522 -0.421607 0.007738
C -0.647573 -2.439118 0.072893
C 3.349991 -0.866684 0.005345
C 4.639419 -0.137096 0.144559
C 5.548931 0.007141 -0.914762
C 4.980171 0.439017 1.383360
C 6.756143 0.697340 -0.766766
C 6.180899 1.131612 1.544043
C 7.069964 1.262463 0.470602
H -4.449292 -1.014119 0.034060
H -4.542791 0.200700 -2.161620
H -4.861208 1.742486 -1.359309
H -4.855123 1.789950 1.330582
H -4.533359 0.276909 2.185028
H -6.678877 -0.755707 -1.311403
H -6.997495 0.762316 -2.158115
H -6.988032 0.838930 2.172484
H -6.672941 -0.708094 1.378744
H -7.168184 2.005116 -0.013782
H -8.267157 0.621064 0.013141
H -2.884444 2.629969 -0.034322
H 3.273936 -1.501754 -0.900788
H 3.161374 -1.556591 0.855949
H -1.423734 -4.356336 0.032271
H 0.294004 -4.280132 0.014218
H 4.291899 0.346363 2.225570
H 7.440772 0.793162 -1.609861
H 6.425901 1.574191 2.509054
H 8.005721 1.805018 0.598536


%chk=000244998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244998

0 1
Cl 5.155107 -0.456601 -2.607281
S 2.083185 0.771514 -0.158271
N -2.962571 0.558246 -0.113429
N -1.074455 1.872081 -0.231257
N -1.901625 -1.666265 0.071112
N 0.558887 -1.517509 0.047131
N -0.541755 -3.575358 0.231419
C -4.389327 0.161849 -0.050880
C -5.166388 0.638750 -1.302643
C -5.055666 0.666226 1.253911
C -6.646101 0.190679 -1.230318
C -6.535419 0.218722 1.320123
C -7.323674 0.682160 0.071423
C -1.875112 -0.313427 -0.044795
C -2.418432 1.853361 -0.221561
C -0.711272 0.516029 -0.120970
C 0.531862 -0.166210 -0.070132
C -0.641446 -2.205861 0.112434
C 3.329963 -0.678921 -0.017383
C 4.717493 -0.119611 0.157955
C 5.636983 0.030561 -0.909493
C 5.163700 0.282599 1.447333
C 6.936935 0.543234 -0.729151
C 6.457784 0.801740 1.655998
C 7.348234 0.932096 0.564860
H -4.377758 -0.946049 -0.037439
H -4.680848 0.241317 -2.213439
H -5.122949 1.745282 -1.365073
H -5.003766 1.773712 1.286680
H -4.492606 0.286676 2.126854
H -6.695770 -0.916992 -1.271965
H -7.192594 0.567442 -2.115654
H -7.003772 0.615350 2.240915
H -6.580321 -0.887687 1.390379
H -7.375509 1.790595 0.061202
H -8.366038 0.313395 0.120654
H -3.043920 2.739998 -0.291822
H 3.219771 -1.281803 -0.929314
H 3.004355 -1.272697 0.849425
H -1.389492 -4.132899 0.276290
H 0.378926 -4.003366 0.249878
H 4.467815 0.186008 2.288711
H 7.611349 0.637059 -1.585097
H 6.770670 1.103321 2.660988
H 8.356366 1.333252 0.713291


