%chk=000114281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114281

0 1
S -1.064072 -2.235432 1.368270
S 4.510472 -0.672150 -0.106038
O -4.535007 1.616860 0.396059
O 3.886102 -0.940199 1.433198
O 4.123157 -1.858630 -0.834925
O 5.884126 -0.303960 0.051065
N 0.220492 -1.114128 -0.635619
C 1.415022 -0.501003 -1.262040
C -0.948239 -0.322897 -0.400335
C 2.092045 0.535544 -0.342071
C 0.390682 -2.157795 0.321494
C -1.780077 -0.820120 0.623416
C 3.579104 0.715200 -0.633565
C -1.338099 0.811317 -1.130876
C -2.551779 1.433376 -0.832322
C -2.992940 -0.227711 0.945630
C -3.366720 0.901780 0.208679
C 1.400739 -3.015135 0.441099
C -3.007924 2.629448 -1.596393
C -5.426956 1.178514 1.448136
H 1.107502 -0.032816 -2.223246
H 2.118441 -1.330774 -1.540394
H 1.943541 0.257690 0.727788
H 1.574096 1.512368 -0.446131
H 3.939585 1.646810 -0.139269
H 3.736310 0.922901 -1.714122
H -0.711740 1.196403 -1.931936
H -3.617541 -0.633139 1.736398
H 2.273225 -3.016174 -0.207833
H 3.462787 -1.811489 1.570856
H 1.411493 -3.828716 1.148210
H -3.558423 2.326557 -2.500498
H -3.698854 3.250723 -1.001889
H -2.176355 3.271103 -1.911142
H -6.239394 1.912996 1.369990
H -4.932531 1.244241 2.421459
H -5.793170 0.168639 1.241597


%chk=000114281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114281

0 1
S -1.017243 -2.223066 1.489352
S 4.607222 -0.848181 -0.070268
O -4.660157 1.577844 0.371819
O 3.705650 -1.205681 1.473625
O 4.311817 -2.027343 -1.161902
O 6.119354 -0.462221 0.327262
N 0.287790 -0.978601 -0.467471
C 1.426648 -0.436873 -1.235565
C -0.931270 -0.263544 -0.332998
C 2.183675 0.651595 -0.411718
C 0.465976 -2.053800 0.414796
C -1.778390 -0.782004 0.672235
C 3.680061 0.757177 -0.692353
C -1.348529 0.860167 -1.080503
C -2.601092 1.461883 -0.831253
C -3.029497 -0.211121 0.953997
C -3.434123 0.914024 0.192542
C 1.570687 -2.877068 0.536603
C -3.073679 2.664624 -1.619398
C -5.560054 1.074029 1.411404
H 1.047229 -0.025234 -2.186594
H 2.103256 -1.266410 -1.499882
H 2.045744 0.449457 0.665864
H 1.739419 1.648441 -0.599310
H 4.170738 1.556597 -0.115471
H 3.965689 0.794763 -1.756517
H -0.710752 1.279089 -1.865972
H -3.665124 -0.629374 1.738304
H 2.299881 -2.968374 -0.278457
H 2.901764 -1.848368 1.247456
H 1.528631 -3.711465 1.241860
H -4.025788 2.449873 -2.137979
H -3.272903 3.523596 -0.952935
H -2.325504 2.968482 -2.371112
H -6.439309 1.733432 1.375556
H -5.090287 1.133348 2.412578
H -5.868430 0.030510 1.205105


