%chk=000201304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201304

0 1
Cl -5.745111 -2.022492 -2.934997
S -3.718628 1.462430 1.807533
O 7.391357 -0.118597 -2.560470
N 1.651215 -1.101518 0.316347
N 4.426253 -0.628731 -0.373035
N -1.922037 0.340157 -0.458536
C 2.553839 -2.272023 0.020171
C 2.525560 -0.312633 1.258248
C 3.212002 -2.659756 1.375727
C 3.185206 -1.356585 2.202919
C 3.605665 -1.731948 -0.983394
C 3.579526 0.379758 0.354432
C 0.333042 -1.486077 0.909911
C 5.252589 0.050734 -1.421512
C -0.658502 -1.819705 -0.216823
C -0.965906 -0.607425 -1.108179
C 6.488671 -0.824671 -1.697557
C -3.305125 0.041032 -0.522630
C -1.394578 1.412877 0.319429
C -4.237500 0.572070 0.397348
C -2.154938 2.063673 1.310017
C -3.798240 -0.779763 -1.565010
C -0.084863 1.885401 0.071468
C -5.606025 0.345242 0.267287
C -1.661439 3.176152 1.992393
C -5.167391 -1.010679 -1.655314
C 0.412295 2.983373 0.769078
C -6.091767 -0.462068 -0.767059
C -0.371469 3.640004 1.724712
H 1.996934 -3.116860 -0.433166
H 1.945074 0.454421 1.812724
H 4.244094 -3.017887 1.230876
H 2.657760 -3.469173 1.872005
H 2.605984 -1.474854 3.130196
H 4.202179 -1.048272 2.494108
H 3.083780 -1.415860 -1.912678
H 4.308848 -2.547003 -1.256069
H 4.266906 0.982003 0.985985
H 3.053290 1.076456 -0.333176
H 0.403015 -2.343966 1.612192
H -0.057907 -0.629100 1.504440
H 4.709078 0.248569 -2.370112
H 5.586567 1.043072 -1.049730
H -0.252417 -2.632755 -0.850928
H -1.592631 -2.218585 0.227659
H -1.389953 -0.941754 -2.083623
H -0.015517 -0.068576 -1.354921
H 7.005915 -1.114615 -0.766352
H 6.245604 -1.728659 -2.284856
H 7.788984 0.642063 -2.095931
H -3.119592 -1.217243 -2.298719
H 0.546855 1.377195 -0.663873
H -6.309515 0.788075 0.977396
H -2.277319 3.681910 2.739020
H 1.422229 3.337189 0.561939
H -7.156851 -0.654766 -0.872691
H 0.019504 4.504444 2.255382


%chk=000201304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201304

0 1
Cl -6.127349 -2.180798 -1.785573
S -2.577307 1.359924 2.261652
O 7.674284 0.396839 -1.332771
N 1.453557 -1.354304 0.110880
N 4.257992 -0.607832 0.016805
N -1.707889 0.360542 -0.497079
C 2.482135 -2.279390 -0.471893
C 2.173117 -0.889997 1.342652
C 3.008216 -3.126865 0.740561
C 2.797801 -2.184560 1.970568
C 3.604961 -1.394463 -1.061529
C 3.268826 0.094523 0.877487
C 0.119906 -1.964864 0.349824
C 5.337487 0.277057 -0.468090
C -0.749305 -1.931252 -0.927839
C -0.949029 -0.489373 -1.448420
C 6.618259 -0.501633 -0.838177
C -3.042813 0.002795 -0.157088
C -1.229124 1.674455 -0.189808
C -3.628014 0.454266 1.060701
C -1.590337 2.306419 1.032379
C -3.836115 -0.797541 -1.025327
C -0.403878 2.398816 -1.092352
C -4.961526 0.144072 1.387308
C -1.152093 3.607913 1.344471
C -5.150575 -1.127717 -0.654438
C 0.069312 3.687620 -0.764290
C -5.743536 -0.672310 0.536129
C -0.301371 4.301285 0.452739
H 2.041715 -2.895825 -1.275224
H 1.473627 -0.366259 2.016817
H 4.071162 -3.389048 0.607901
H 2.432024 -4.064374 0.842480
H 2.105481 -2.629372 2.708179
H 3.751988 -1.964101 2.477893
H 3.154609 -0.732320 -1.843007
H 4.363388 -2.033845 -1.550388
H 3.805215 0.508276 1.753202
H 2.765205 0.938937 0.345762
H 0.179650 -3.016344 0.718283
H -0.384746 -1.373077 1.136629
H 5.026597 0.892497 -1.348940
H 5.583801 0.987379 0.347750
H -0.259774 -2.512259 -1.734869
H -1.716195 -2.425869 -0.719890
H -1.416303 -0.492678 -2.455633
H 0.061627 -0.060279 -1.536625
H 6.956300 -1.092856 0.037874
H 6.441054 -1.190985 -1.679394
H 7.935218 1.016495 -0.605277
H -3.437272 -1.148023 -1.979474
H -0.140468 1.962390 -2.059843
H -5.389812 0.520948 2.321582
H -1.464150 4.068943 2.287596
H 0.713463 4.218252 -1.473907
H -6.769790 -0.941751 0.796893
H 0.055394 5.305220 0.703747


