%chk=000296232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296232

0 1
Cl -5.708841 1.378492 0.063031
S 3.887063 0.345587 1.464984
O 1.245367 0.442894 0.838006
O 0.715052 2.815881 -1.599554
O -0.580684 3.024669 1.615708
N -0.867005 -0.287722 0.207892
N -1.264219 -2.244464 -0.936284
N -3.199166 0.635472 0.200637
N -4.788655 -0.858707 -0.939838
N -4.156564 -2.908460 -1.925986
C 0.902392 2.611982 -0.208591
C -0.411696 2.174883 0.485697
C 1.924211 1.476083 0.049538
C -0.137396 0.734431 1.008026
C 3.105157 1.886259 0.906705
C -2.231517 -0.300178 -0.089477
C -0.329097 -1.509275 -0.328381
C -2.465123 -1.525072 -0.807760
C 5.255894 0.142793 0.274442
C 5.912237 -1.190334 0.612301
C -3.803447 -1.785531 -1.232805
C 7.095488 -1.473875 -0.327823
C -4.430213 0.272502 -0.255845
C 7.761423 -2.807832 -0.000773
H 1.235470 3.614986 0.150411
H -1.290204 2.256058 -0.192721
H 2.228606 0.976189 -0.895895
H -0.356620 0.597887 2.095723
H 2.779324 2.431134 1.819213
H 3.803228 2.550722 0.370021
H 0.350537 2.016969 -2.041522
H -1.542278 3.104198 1.831617
H 0.724549 -1.745191 -0.212797
H 5.970289 0.980059 0.370365
H 4.870667 0.153047 -0.760087
H 6.266605 -1.195393 1.664224
H 5.175966 -2.017651 0.541000
H 6.749721 -1.477111 -1.380105
H 7.840059 -0.656940 -0.254419
H 8.604136 -3.005062 -0.673302
H 7.061250 -3.645597 -0.099381
H 8.150012 -2.826259 1.024227
H -3.466555 -3.615685 -2.134244
H -5.115525 -3.069441 -2.196276


%chk=000296232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296232

0 1
Cl -5.009002 2.064761 -2.145526
S 4.100089 -0.173115 2.058557
O 0.845696 0.345686 1.450046
O 1.922219 3.066736 -0.757266
O -1.182206 2.953727 -0.145086
N -1.243661 -0.322838 0.472325
N -2.000036 -2.464382 0.140641
N -3.010100 0.926391 -0.762169
N -4.681407 -0.572447 -1.729465
N -4.603762 -2.919489 -1.506278
C 1.176058 2.437938 0.321143
C -0.201095 1.898451 -0.099023
C 1.915639 1.155974 0.762444
C -0.459004 0.821600 0.994535
C 3.065865 1.374095 1.735081
C -2.407663 -0.211090 -0.283699
C -1.046886 -1.696454 0.705338
C -2.861702 -1.542297 -0.478744
C 5.276833 -0.047762 0.571132
C 6.203301 -1.274515 0.536115
C -4.056478 -1.699559 -1.241590
C 7.190154 -1.224297 -0.656013
C -4.131824 0.628318 -1.465265
C 8.120123 -2.456084 -0.702658
H 1.036098 3.131886 1.177698
H -0.092404 1.389459 -1.082274
H 2.254353 0.609841 -0.140225
H -1.005466 1.264451 1.850472
H 2.680445 1.699016 2.716051
H 3.738089 2.154586 1.336612
H 1.397144 3.840843 -1.084552
H -2.042876 2.522981 -0.462505
H -0.190942 -2.052311 1.271731
H 5.856762 0.887164 0.676191
H 4.667687 0.009973 -0.349072
H 6.774651 -1.336461 1.483756
H 5.592972 -2.197168 0.470465
H 6.617808 -1.154791 -1.603254
H 7.799982 -0.300552 -0.589498
H 8.817340 -2.401993 -1.558649
H 7.535784 -3.390270 -0.800187
H 8.723753 -2.532553 0.221145
H -4.153121 -3.761660 -1.152710
H -5.459312 -2.974390 -2.055872


