%chk=000113078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113078

0 1
S 4.558195 0.537749 0.947767
S -1.104159 2.699423 -1.681947
O 4.436437 1.576349 -0.036956
O 3.905597 1.186456 2.372955
O 5.852271 0.044485 1.330599
N 0.192254 1.331851 0.136933
C 2.128951 -0.234345 0.019721
C 1.304941 0.726455 0.898583
C 3.379416 -0.759269 0.728962
C -1.083086 0.721592 0.049366
C 0.432129 2.356403 -0.824044
C -1.955223 1.387401 -0.890051
C 4.041807 -1.881586 -0.060842
C -1.540014 -0.355914 0.775351
C -2.891324 -0.790580 0.592460
C -3.242809 0.993794 -1.082498
C -3.743761 -0.123047 -0.330769
C 1.561445 3.004466 -1.086149
C -3.409337 -1.901889 1.330640
C -5.087804 -0.576724 -0.496307
C -4.706576 -2.315676 1.150456
C -5.558019 -1.646634 0.226015
H 2.402171 0.271724 -0.935224
H 1.489481 -1.089409 -0.287734
H 1.938583 1.557111 1.303460
H 0.894072 0.197310 1.788142
H 3.078191 -1.163226 1.734980
H 4.267057 -1.596547 -1.098364
H 4.982536 -2.220741 0.403146
H 3.386422 -2.763334 -0.117882
H -0.909970 -0.878267 1.487443
H -3.901915 1.498585 -1.788803
H 4.467583 1.785658 2.882149
H 1.636717 3.802623 -1.809131
H 2.517408 2.797800 -0.611472
H -2.755835 -2.409246 2.037639
H -5.731690 -0.057448 -1.205464
H -5.104632 -3.160482 1.711508
H -6.581110 -1.996870 0.104962


%chk=000113078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113078

0 1
S 4.660437 0.536034 1.067983
S -1.225084 2.862050 -1.761603
O 4.465552 1.833313 0.114914
O 3.988938 0.942505 2.769388
O 6.140752 -0.097344 1.216693
N 0.193068 1.354654 -0.071240
C 2.136976 -0.211175 -0.060084
C 1.307440 0.833987 0.729561
C 3.255346 -0.873825 0.738568
C -1.083503 0.761251 -0.072781
C 0.381813 2.458120 -0.941863
C -2.017131 1.447407 -0.928730
C 3.977573 -2.036213 0.065276
C -1.499278 -0.360609 0.649793
C -2.856156 -0.816989 0.545341
C -3.333224 1.033356 -1.054841
C -3.788609 -0.114292 -0.316624
C 1.531182 3.147511 -1.177824
C -3.323144 -1.960421 1.273054
C -5.138440 -0.581656 -0.413023
C -4.647736 -2.394392 1.159716
C -5.564506 -1.700525 0.310102
H 2.543379 0.255782 -0.976573
H 1.464231 -1.028908 -0.391491
H 1.944659 1.679698 1.037966
H 0.902611 0.386314 1.655237
H 2.989099 -1.076436 1.790814
H 4.232947 -1.807950 -0.983544
H 4.901993 -2.310522 0.600980
H 3.304098 -2.913828 0.072811
H -0.809244 -0.903455 1.304543
H -4.034257 1.564996 -1.706911
H 4.582502 1.631003 3.186291
H 1.528720 3.996125 -1.864209
H 2.484741 2.878600 -0.713384
H -2.623692 -2.494252 1.928144
H -5.838675 -0.046470 -1.065562
H -4.989002 -3.269336 1.723925
H -6.599977 -2.048106 0.228791


