%chk=000114282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114282

1 1
S -1.859655 -2.781844 0.383349
S 3.580887 1.518109 -0.644401
O -3.975523 2.028064 0.600715
O 4.581440 1.431955 -1.979931
O 4.143219 2.478236 0.247045
O 2.232671 1.678736 -1.147460
N 0.208113 -1.473680 -0.406694
C 1.572672 -1.104165 -0.864903
C -0.799306 -0.487008 -0.174996
C 2.481515 -0.782784 0.337428
C -0.204001 -2.731716 -0.151775
C -2.012742 -1.050976 0.270740
C 3.792373 -0.135466 -0.090146
C -0.682290 0.912845 -0.359817
C -1.770629 1.716933 -0.089496
C -3.130432 -0.270901 0.555345
C -3.003942 1.109760 0.375236
C 0.578074 -3.961726 -0.302710
C -1.722883 3.190890 -0.264423
C -5.276444 1.571205 1.067759
H 1.484186 -0.206007 -1.548763
H 2.002364 -1.921439 -1.487505
H 2.704318 -1.715199 0.901815
H 1.942382 -0.130440 1.062119
H 4.307999 -0.752433 -0.865668
H 4.518562 -0.176806 0.759690
H 0.263043 1.356022 -0.721543
H -4.059168 -0.721207 0.900046
H 0.758579 -4.216141 -1.367740
H 1.569749 -3.911768 0.184827
H 0.079867 -4.852119 0.130761
H -0.726282 3.564149 -0.545049
H -2.426201 3.525440 -1.047329
H -2.022731 3.719496 0.657347
H 4.936773 2.263153 -2.343780
H -5.819742 2.526432 1.149167
H -5.184020 1.092338 2.046586
H -5.743197 0.921858 0.321651


%chk=000114282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114282

1 1
S -1.869024 -2.876806 0.146916
S 3.729186 1.587653 -0.736731
O -4.027792 2.010979 0.563068
O 3.620579 0.730640 -2.394162
O 5.085247 2.446612 -0.635164
O 2.288525 2.274672 -0.446625
N 0.259608 -1.457026 -0.383913
C 1.660966 -1.065203 -0.717544
C -0.748095 -0.477680 -0.155331
C 2.435057 -0.610619 0.545669
C -0.142334 -2.746043 -0.266123
C -2.002184 -1.064508 0.149831
C 3.840516 -0.097397 0.239524
C -0.610586 0.931199 -0.214967
C -1.729077 1.742170 0.031834
C -3.144120 -0.289738 0.402276
C -2.996305 1.118868 0.339405
C 0.713502 -3.953468 -0.475154
C -1.635320 3.248040 -0.015013
C -5.369809 1.490831 0.886468
H 1.617573 -0.260545 -1.469389
H 2.160315 -1.923472 -1.193960
H 2.550490 -1.462944 1.243904
H 1.865523 0.168457 1.083147
H 4.445081 -0.722967 -0.434272
H 4.403235 0.182246 1.144462
H 0.352065 1.406006 -0.438421
H -4.104541 -0.754429 0.635092
H 1.036591 -4.042258 -1.530070
H 1.619395 -3.930649 0.157918
H 0.157994 -4.870388 -0.224415
H -0.608363 3.578318 -0.238095
H -2.317457 3.661215 -0.779975
H -1.951600 3.692061 0.945966
H 3.838333 1.388409 -3.116087
H -5.993218 2.385255 1.016874
H -5.348007 0.907505 1.825396
H -5.762351 0.876797 0.055157


