%chk=000109883.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000109883

0 1
S 1.381057 3.513594 0.066343
S 4.916363 -1.478997 -1.034649
O -2.525858 -0.785557 0.574142
O -3.259301 1.109532 -0.643771
O 4.005267 -1.217314 -2.429861
O 6.269437 -1.151382 -1.387983
O 4.593036 -2.809816 -0.596490
N 1.883719 1.320076 1.402748
C -3.690565 -0.228259 -0.171225
C -3.942594 -1.088245 -1.398840
C -4.839971 -0.021491 0.801547
C -4.693965 -2.373614 -1.035941
C -5.564465 -1.338833 1.098539
C -5.940536 -2.077980 -0.192089
C -1.520919 0.149877 0.527558
C -1.957669 1.299159 -0.207579
C 0.571936 1.171524 0.879731
C -0.263011 0.045451 1.085090
C -1.150664 2.398188 -0.414514
C 0.127622 2.296805 0.150223
C 2.636993 0.168070 1.947813
C 2.535944 2.518718 1.003402
C 3.108074 -0.824050 0.869464
C 4.208400 -0.250716 -0.019038
C 3.774073 2.923926 1.279901
H -2.979818 -1.330201 -1.893855
H -4.517794 -0.490379 -2.137369
H -5.539797 0.724392 0.368355
H -4.462039 0.432058 1.740612
H -4.015457 -3.051892 -0.478765
H -4.976284 -2.912562 -1.960114
H -6.469786 -1.137247 1.701823
H -4.914002 -1.983722 1.724494
H -6.662049 -1.476625 -0.777902
H -6.460800 -3.023135 0.053889
H 0.050097 -0.829039 1.642587
H -1.479583 3.271646 -0.971778
H 3.503227 0.555942 2.532622
H 1.981207 -0.360365 2.680757
H 3.454945 -1.755624 1.372379
H 2.240910 -1.135199 0.243972
H 4.981955 0.264578 0.593460
H 3.788740 0.588926 -0.629691
H 4.227483 -1.744943 -3.207559
H 4.163182 3.881578 0.968242
H 4.487260 2.359548 1.856017


%chk=000109883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109883

0 1
S 1.373203 3.713869 0.228424
S 5.078987 -1.535905 -1.068272
O -2.525161 -0.814937 0.271482
O -3.298259 1.203855 -0.793580
O 3.536039 -1.615704 -2.127554
O 6.308114 -0.950149 -1.941365
O 5.259143 -2.943559 -0.285780
N 1.890016 1.327631 1.306780
C -3.753369 -0.162341 -0.342191
C -4.193592 -0.982992 -1.552720
C -4.827293 -0.009150 0.738595
C -4.760422 -2.356158 -1.112178
C -5.390599 -1.387685 1.163782
C -5.886216 -2.191379 -0.062772
C -1.537413 0.187297 0.330590
C -1.990498 1.373131 -0.288077
C 0.570765 1.213682 0.802509
C -0.258827 0.062759 0.885193
C -1.186089 2.515566 -0.380224
C 0.103444 2.403687 0.183679
C 2.582184 0.202006 1.943664
C 2.532227 2.568938 1.091947
C 3.201685 -0.811758 0.937394
C 4.326978 -0.191077 0.114521
C 3.801886 2.934185 1.439866
H -3.336187 -1.101083 -2.238489
H -4.971768 -0.401533 -2.083970
H -5.634803 0.619452 0.315715
H -4.398800 0.534260 1.600406
H -3.940470 -2.962411 -0.680979
H -5.134174 -2.898121 -2.000797
H -6.211215 -1.240031 1.890372
H -4.594404 -1.958152 1.680188
H -6.747453 -1.665864 -0.525307
H -6.251192 -3.185210 0.258421
H 0.065204 -0.874005 1.343033
H -1.540143 3.429579 -0.861460
H 3.355269 0.600644 2.622724
H 1.858098 -0.342069 2.577064
H 3.588568 -1.675576 1.510493
H 2.414607 -1.186188 0.259555
H 5.208459 0.121143 0.697965
H 4.015782 0.597340 -0.586017
H 3.713198 -2.253141 -2.876934
H 4.165920 3.938660 1.220440
H 4.482570 2.264890 1.970562


