%chk=000201306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201306

0 1
Cl 5.387723 -2.370736 2.453073
S 3.117820 1.551935 -1.813379
N -2.212994 -1.033288 -0.097651
N -4.900735 -0.572870 0.883892
N 1.456969 0.265921 0.471002
C -3.108945 -2.208744 0.201347
C -3.155846 -0.164701 -0.892829
C -3.901652 -2.487046 -1.108417
C -3.923831 -1.128378 -1.841236
C -4.048321 -1.726372 1.337273
C -4.105137 0.474582 0.154239
C -0.967036 -1.393967 -0.842806
C 0.116576 -1.837692 0.153915
C -5.591261 0.040562 2.058307
C 0.528214 -0.712660 1.114822
C 2.833286 -0.061361 0.409323
C 0.899412 1.408066 -0.176705
C 3.711689 0.532402 -0.525672
C 1.603471 2.129444 -1.159808
C 3.379383 -0.979246 1.338440
C -0.380948 1.876394 0.199545
C 5.080172 0.271581 -0.514118
C 1.086689 3.302200 -1.711843
C 4.745682 -1.240323 1.310088
C -0.902818 3.035669 -0.368603
C 5.618442 -0.631652 0.409085
C -0.172705 3.759768 -1.318128
H -2.529899 -3.092370 0.537167
H -2.613818 0.630979 -1.445239
H -3.417131 -3.267994 -1.711213
H -4.923996 -2.835820 -0.888682
H -4.957182 -0.784458 -2.009923
H -3.438082 -1.188433 -2.825698
H -4.741916 -2.546347 1.619873
H -3.433340 -1.485095 2.230590
H -3.504522 1.114286 0.835818
H -4.837472 1.130944 -0.361995
H -1.125293 -2.190141 -1.601124
H -0.610756 -0.498694 -1.401467
H -0.246972 -2.698323 0.749868
H 0.997718 -2.207534 -0.407992
H -6.224339 -0.722438 2.538983
H -6.264477 0.836376 1.701481
H -4.924446 0.467531 2.821731
H 1.017572 -1.137830 2.021786
H -0.384126 -0.175852 1.481623
H 2.743680 -1.468754 2.077744
H -0.972726 1.316144 0.930900
H 5.742400 0.762917 -1.231932
H 1.660279 3.860145 -2.454894
H -1.890070 3.383691 -0.064449
H 6.683437 -0.850947 0.420976
H -0.582123 4.670729 -1.747288


%chk=000201306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201306

0 1
Cl 5.507178 -2.524684 1.691034
S 2.259988 1.458659 -2.194119
N -2.109050 -1.207513 -0.045393
N -4.906057 -0.553725 0.343999
N 1.270398 0.347167 0.482101
C -3.076433 -2.215328 0.511117
C -2.930902 -0.632705 -1.161493
C -3.685572 -2.938347 -0.742691
C -3.572904 -1.870701 -1.879464
C -4.159546 -1.425855 1.280010
C -4.010222 0.263538 -0.510255
C -0.797387 -1.775371 -0.458515
C 0.159756 -1.894875 0.749018
C -5.963307 0.232428 0.996349
C 0.453260 -0.512435 1.375310
C 2.590709 -0.065966 0.145678
C 0.872827 1.702723 0.244640
C 3.229320 0.425590 -1.029135
C 1.297028 2.383660 -0.930454
C 3.317031 -0.964873 0.975522
C 0.069284 2.419407 1.172596
C 4.550461 0.059441 -1.348142
C 0.940115 3.724395 -1.171935
C 4.619085 -1.346672 0.610758
C -0.322377 3.750573 0.913501
C 5.265185 -0.852392 -0.535610
C 0.109859 4.412145 -0.257103
H -2.562923 -2.905598 1.203115
H -2.296425 -0.019765 -1.824893
H -3.116159 -3.854128 -0.984913
H -4.735221 -3.222435 -0.560153
H -4.561057 -1.623356 -2.302201
H -2.920659 -2.221318 -2.700283
H -4.877922 -2.122246 1.755371
H -3.653740 -0.843043 2.091325
H -3.485680 1.065107 0.068597
H -4.625099 0.751093 -1.291650
H -0.890494 -2.771693 -0.951492
H -0.347211 -1.086897 -1.198880
H -0.297547 -2.532794 1.531321
H 1.091366 -2.398322 0.430658
H -6.652532 -0.442969 1.535898
H -6.547717 0.778219 0.232986
H -5.573211 0.983341 1.730589
H 0.920178 -0.616563 2.376832
H -0.528371 -0.028571 1.503438
H 2.876176 -1.354141 1.895317
H -0.241688 1.942687 2.106253
H 5.020894 0.467764 -2.248299
H 1.299351 4.221269 -2.079420
H -0.952189 4.274760 1.640530
H 6.280287 -1.164225 -0.792637
H -0.184436 5.447738 -0.454934


