%chk=000268819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268819

0 1
S 1.014605 -0.683825 -2.041573
S -0.976809 -0.983591 -0.963254
O 5.621214 -2.628191 2.375789
O -6.850564 -2.499464 1.866878
O 6.293987 -3.719346 0.633112
O -6.466993 -4.314634 0.758136
N 0.326924 1.325570 -0.540490
N 5.532125 -2.956646 1.204152
N -6.168389 -3.186018 1.119289
C 0.534577 2.655318 0.182606
C -0.094585 3.795728 -0.662770
C -0.024825 5.280068 -0.199492
C 2.050360 2.828223 0.374178
C -0.122052 2.508348 1.565176
C -0.783345 6.110262 -1.265313
C 1.421196 5.799117 -0.130144
C -0.713054 5.499132 1.157418
C 1.066032 1.137910 -1.800236
C -1.065204 0.874894 -0.685775
C 2.351122 -1.295660 -1.061296
C -2.530118 -1.526873 -0.324862
C 2.459518 -0.975852 0.293777
C -3.337056 -0.782260 0.542410
C 3.255059 -2.158626 -1.688987
C -2.908565 -2.822014 -0.716614
C 3.505103 -1.520179 1.042188
C -4.530287 -1.321191 1.020006
C 4.299054 -2.711653 -0.944844
C -4.096341 -3.370179 -0.244634
C 4.417828 -2.381222 0.414031
C -4.908588 -2.614228 0.622475
H -1.168387 3.558126 -0.805498
H 0.355737 3.756991 -1.674902
H 2.580288 2.999378 -0.568599
H 2.260175 3.697706 1.017075
H 2.497262 1.950566 0.856980
H -1.215617 2.485549 1.514071
H 0.206021 1.589390 2.068045
H 0.148902 3.354301 2.215247
H -0.327609 6.016910 -2.255193
H -0.780751 7.175743 -1.010917
H -1.830564 5.805506 -1.350064
H 1.962896 5.619360 -1.063229
H 1.446177 6.878474 0.057112
H 1.985469 5.320518 0.681421
H -1.740866 5.123835 1.156327
H -0.175677 4.995130 1.971778
H -0.756911 6.563745 1.412897
H 2.106444 1.514665 -1.726367
H 0.603157 1.579388 -2.709368
H -1.617886 1.296062 -1.548418
H -1.647400 1.072399 0.241052
H 1.724668 -0.314652 0.771055
H -3.037156 0.216632 0.862627
H 3.154998 -2.403931 -2.749084
H -2.277792 -3.402458 -1.392293
H 3.616127 -1.289695 2.107472
H -5.174343 -0.754171 1.699912
H 5.022503 -3.392845 -1.406661
H -4.411394 -4.377239 -0.537614


%chk=000268819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268819

0 1
S 1.898393 -1.109306 -2.739995
S -1.232060 -1.356661 -1.273394
O 5.446407 -2.349292 2.944224
O -7.532507 -0.327779 1.154518
O 6.953015 -1.039173 1.837619
O -6.675797 -1.651470 2.806981
N 0.267986 1.111821 -1.721267
N 5.810674 -1.637524 1.928932
N -6.573877 -1.018758 1.682986
C 0.518465 1.913407 -0.434507
C -0.373212 3.207606 -0.585364
C -0.248791 4.482063 0.330267
C 2.020149 2.251180 -0.309196
C 0.105696 1.051063 0.788555
C -1.529506 5.323290 0.039032
C 0.978199 5.361548 -0.043912
C -0.218376 4.175893 1.851098
C 1.280830 0.796809 -2.675317
C -1.011588 0.537731 -1.954752
C 3.059067 -1.222547 -1.330603
C -2.832827 -1.206707 -0.409880
C 2.699440 -1.989121 -0.190913
C -3.929547 -0.485487 -0.959896
C 4.335027 -0.601458 -1.391789
C -2.995377 -1.878083 0.834530
C 3.602359 -2.134634 0.880867
C -5.155192 -0.413770 -0.273790
C 5.241902 -0.728483 -0.322775
C -4.221318 -1.829001 1.520573
C 4.860007 -1.495470 0.801758
C -5.288016 -1.086719 0.962071
H -1.429092 2.875293 -0.504754
H -0.238500 3.559026 -1.628837
H 2.371812 2.940819 -1.096762
H 2.190917 2.744955 0.660567
H 2.639560 1.338118 -0.321991
H -0.970618 0.807427 0.783181
H 0.667510 0.101607 0.792546
H 0.322503 1.589308 1.724252
H -1.626252 5.545229 -1.040917
H -1.493124 6.286789 0.580533
H -2.442147 4.787101 0.360859
H 0.981255 5.600127 -1.124627
H 0.936909 6.318174 0.510395
H 1.938495 4.880410 0.203516
H -1.059044 3.523790 2.151960
H 0.724775 3.692354 2.164363
H -0.304654 5.119744 2.421641
H 2.188975 1.394305 -2.551552
H 0.907209 0.871367 -3.711530
H -1.214492 0.433233 -3.031124
H -1.821232 1.075400 -1.444612
H 1.713388 -2.462032 -0.156726
H -3.839659 -0.012622 -1.943318
H 4.619809 -0.040378 -2.287656
H -2.152191 -2.429692 1.262368
H 3.352323 -2.721443 1.768640
H -6.010880 0.130887 -0.681618
H 6.231346 -0.264512 -0.346935
H -4.364129 -2.337451 2.477679


