%chk=000282362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282362

0 1
S 0.437192 1.984815 1.564998
O -0.558455 2.234375 0.215850
O -1.712748 1.011296 -3.280719
O -0.334950 1.169116 2.478891
O 0.845545 3.302148 1.986675
N -0.863525 -1.430848 -1.809346
C -2.970476 1.773673 0.072314
C -2.787859 0.412874 0.780914
C -1.972591 -0.543217 -0.003167
C -3.131627 1.652805 -1.454511
C -1.659352 -0.359334 -1.351077
C -1.861424 2.785425 0.440202
C -2.092103 0.793115 -2.148732
C -1.362103 -1.774241 0.408606
C -0.676323 -2.307188 -0.744410
C -1.306432 -2.482439 1.628591
C 0.042472 -3.526811 -0.680282
C -0.600747 -3.666804 1.680364
C 0.064379 -4.184650 0.530717
C 1.714681 1.122786 0.834648
C 2.780224 1.816708 0.242021
C 1.699609 -0.277526 0.815399
C 3.805226 -0.290752 -0.388588
C 3.820565 1.117356 -0.363772
C 2.737758 -0.982775 0.206650
C 4.921142 -1.030213 -1.045802
H -3.926392 2.219839 0.460750
H -3.781385 -0.037073 0.990544
H -2.312882 0.568711 1.784464
H -3.133882 2.659678 -1.922130
H -4.127551 1.217567 -1.688659
H -1.974278 3.125512 1.486398
H -1.891662 3.671385 -0.227313
H -0.499757 -1.506407 -2.741077
H -1.811964 -2.077998 2.505066
H 0.543508 -3.918816 -1.558410
H -0.542900 -4.231297 2.608564
H 0.600026 -5.129196 0.628313
H 2.798429 2.912754 0.260154
H 0.870296 -0.827630 1.281783
H 4.645658 1.659762 -0.822076
H 2.710556 -2.071751 0.193038
H 4.993045 -0.776583 -2.114830
H 5.891951 -0.778077 -0.592104
H 4.812102 -2.121272 -0.981711


%chk=000282362-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282362

0 1
S 0.545625 2.181900 1.578215
O -0.642065 2.172234 0.126110
O -1.963566 0.894879 -3.394427
O -0.183106 1.367826 2.782123
O 1.062716 3.693335 1.847230
N -1.008922 -1.414654 -1.843350
C -3.105265 1.762880 0.084182
C -2.957048 0.376184 0.788374
C -2.113545 -0.581300 -0.010851
C -3.293540 1.648518 -1.457002
C -1.827922 -0.380582 -1.369338
C -1.970684 2.736346 0.474697
C -2.296837 0.733889 -2.177198
C -1.441970 -1.798243 0.375755
C -0.755837 -2.299109 -0.799993
C -1.324933 -2.510141 1.601808
C 0.013794 -3.484978 -0.767986
C -0.553057 -3.685401 1.634631
C 0.105294 -4.168532 0.460266
C 1.902276 1.168035 0.792301
C 2.942192 1.861259 0.150032
C 1.839706 -0.228913 0.896005
C 3.969103 -0.326177 -0.348774
C 3.979401 1.094204 -0.418740
C 2.892714 -0.970344 0.314698
C 5.094808 -1.130533 -0.971814
H -4.022928 2.245610 0.482843
H -3.965625 -0.059227 0.947040
H -2.516933 0.522223 1.794487
H -3.254357 2.644328 -1.935273
H -4.303252 1.236098 -1.666248
H -2.021611 2.926727 1.565779
H -2.067202 3.698911 -0.062399
H -0.666593 -1.459342 -2.802120
H -1.824174 -2.145963 2.506190
H 0.520211 -3.862712 -1.662866
H -0.452999 -4.245656 2.570514
H 0.689769 -5.093858 0.518484
H 2.944539 2.954916 0.112532
H 1.014645 -0.725879 1.414810
H 4.806548 1.605121 -0.924825
H 2.864940 -2.063456 0.378540
H 5.160296 -0.946546 -2.060475
H 6.072691 -0.851583 -0.537339
H 4.953699 -2.213494 -0.819427


