%chk=000268818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268818

0 1
S 1.640736 -1.745599 -1.091832
S -2.877560 -2.414885 0.189826
O 5.474594 3.633207 -0.548036
O -4.321337 3.976877 1.203858
O 4.463101 3.783605 1.358215
O -2.930535 4.226532 -0.434677
N -0.295366 -3.248741 -0.352969
N 4.672345 3.241781 0.284426
N -3.553348 3.542310 0.360979
C -0.327479 -4.517699 0.473534
C 0.425023 -2.124641 0.252954
C -1.529150 -2.867760 -1.013219
C -0.963487 -5.654620 -0.334760
C 1.105818 -4.900975 0.863093
C 2.462019 -0.276495 -0.607442
C -3.007654 -0.665928 0.183103
C 3.403082 0.202857 -1.534743
C -3.885378 -0.126344 1.135771
C 2.235574 0.388211 0.601658
C -2.309891 0.153792 -0.708926
C 4.126240 1.355723 -1.246106
C -4.065849 1.253200 1.194641
C 2.958663 1.545853 0.895317
C -2.486279 1.536413 -0.653618
C 3.901494 2.022856 -0.027693
C -3.362430 2.078987 0.299559
H -0.931013 -4.346514 1.405404
H 0.969337 -2.400147 1.181532
H -0.191443 -1.229129 0.473846
H -1.943186 -3.714767 -1.606803
H -1.359095 -2.020987 -1.718842
H -2.038373 -5.512876 -0.490789
H -0.846353 -6.612731 0.187887
H -0.488140 -5.768158 -1.318180
H 1.129366 -5.879494 1.356797
H 1.759337 -4.964955 -0.018756
H 1.562461 -4.181310 1.552372
H 3.574244 -0.320292 -2.478586
H -4.429513 -0.774341 1.827147
H 1.509247 0.025983 1.326483
H -1.636064 -0.271442 -1.458267
H 4.866680 1.750643 -1.951484
H -4.746597 1.703109 1.927060
H 2.799591 2.084530 1.836792
H -1.952636 2.200853 -1.343628


%chk=000268818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268818

0 1
S 1.918649 -1.884139 -0.917108
S -2.490634 -2.092138 1.009525
O 4.008323 4.525853 -0.015719
O -4.381060 4.194392 -0.770936
O 4.046649 3.824274 2.157429
O -2.240864 4.232381 -1.566150
N -0.117831 -3.491083 0.279387
N 3.830764 3.627490 0.896983
N -3.228901 3.643682 -0.975202
C 0.109757 -4.970079 0.293186
C 0.901111 -2.596963 0.675364
C -1.304316 -2.943499 -0.306762
C -1.031331 -5.705879 1.031300
C 0.344804 -5.537156 -1.128765
C 2.464672 -0.249798 -0.326436
C -2.658085 -0.388748 0.362364
C 2.646844 0.782765 -1.289317
C -3.912316 0.254131 0.546520
C 2.740002 0.013712 1.043465
C -1.590299 0.315452 -0.255297
C 3.099660 2.053632 -0.895295
C -4.101667 1.580924 0.121047
C 3.176744 1.287866 1.449211
C -1.775236 1.637062 -0.699917
C 3.355250 2.294388 0.474859
C -3.030608 2.255843 -0.507362
H 1.039445 -5.113789 0.876708
H 1.650896 -3.085169 1.312253
H 0.501670 -1.682095 1.147467
H -1.919504 -3.728811 -0.764633
H -1.095199 -2.152291 -1.046669
H -1.167312 -5.303934 2.050301
H -0.795639 -6.782362 1.106864
H -1.992749 -5.616713 0.492871
H 0.586829 -6.614026 -1.075310
H -0.558019 -5.428396 -1.757957
H 1.180817 -5.018295 -1.630199
H 2.430297 0.584641 -2.344050
H -4.737995 -0.292767 1.012357
H 2.642299 -0.776533 1.793720
H -0.606491 -0.148414 -0.381133
H 3.248850 2.858741 -1.619576
H -5.058207 2.093625 0.251189
H 3.395814 1.511442 2.496659
H -0.965086 2.197274 -1.174338


