%chk=000251579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251579

0 1
S 2.886347 0.944159 -0.450540
S -2.858690 -1.573506 0.342437
O 3.394640 0.860106 -1.800058
O 3.714668 0.465178 0.644974
O -3.126441 -2.031885 1.684634
O -3.075877 -2.484926 -0.770532
N 1.410489 0.051046 -0.417875
N -1.196443 -1.103708 0.301333
C 2.087268 -3.445278 0.195698
C 1.215567 -1.157670 -0.040738
C -0.188153 -1.759925 -0.133546
C 3.118745 -4.458170 0.602211
C 2.231144 -2.125170 0.425473
C 0.878503 -3.940645 -0.496369
C -0.186683 -3.145478 -0.673651
C 2.345465 2.545852 -0.104921
C -3.663613 -0.080802 0.032740
C 3.972294 -4.880022 -0.592450
C 2.606869 3.109548 1.148764
C 1.654950 3.276977 -1.076326
C -4.304429 0.118138 -1.195457
C -3.680245 0.922337 1.006879
C 2.178649 4.409428 1.431115
C 1.225267 4.577888 -0.794086
C -4.966583 1.322117 -1.448787
C -4.342161 2.128229 0.753352
C 1.487471 5.141771 0.458843
C -4.983959 2.326258 -0.473550
H 3.774064 -4.048160 1.401475
H 2.626706 -5.345068 1.054896
H 3.113380 -1.699135 0.923948
H 0.894611 -4.973386 -0.850003
H -1.106846 -3.472937 -1.179720
H 4.735554 -5.608333 -0.293281
H 4.495868 -4.020432 -1.033094
H 3.371785 -5.337959 -1.386734
H 3.152052 2.534681 1.907138
H 1.452430 2.837986 -2.058688
H -4.291297 -0.671403 -1.956694
H -3.180401 0.768060 1.968727
H 2.383214 4.850653 2.405313
H 0.688562 5.149052 -1.549806
H -5.467738 1.477865 -2.402941
H -4.356772 2.909987 1.511185
H 1.153194 6.156363 0.679063
H -5.500728 3.266319 -0.671350


%chk=000251579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251579

0 1
S 3.059175 0.934159 -0.156515
S -2.978383 -1.706553 0.286599
O 3.684347 0.725292 -1.645766
O 3.930852 0.525674 1.168682
O -3.290941 -2.212979 1.800912
O -3.240838 -2.698903 -0.990366
N 1.271928 0.119693 -0.170881
N -1.154770 -0.950145 0.315410
C 2.194300 -3.461138 0.220698
C 1.235557 -1.182353 0.087644
C -0.171468 -1.794771 0.041631
C 3.360922 -4.415932 0.375293
C 2.352444 -2.095883 0.335455
C 0.875543 -4.015741 -0.111396
C -0.251419 -3.239754 -0.214923
C 2.515253 2.725363 0.031914
C -3.900980 -0.097457 -0.028241
C 3.797212 -5.034187 -0.982333
C 2.486733 3.270283 1.324818
C 2.202033 3.440007 -1.134675
C -4.248608 0.210875 -1.352483
C -4.229073 0.696870 1.081550
C 2.108932 4.627334 1.450724
C 1.827138 4.795318 -0.985928
C -4.970847 1.406401 -1.573904
C -4.951487 1.887508 0.837261
C 1.777622 5.382222 0.300870
C -5.315531 2.240341 -0.484080
H 4.219040 -3.890857 0.830723
H 3.074958 -5.234933 1.065677
H 3.328482 -1.658420 0.571440
H 0.793796 -5.101000 -0.247212
H -1.231963 -3.671530 -0.439785
H 4.630153 -5.742744 -0.828979
H 4.134644 -4.247543 -1.679448
H 2.969424 -5.584614 -1.465703
H 2.768189 2.663675 2.191433
H 2.266953 2.960898 -2.116600
H -3.983245 -0.466244 -2.170589
H -3.946832 0.387373 2.092703
H 2.076657 5.090114 2.442384
H 1.576473 5.387729 -1.871837
H -5.263147 1.681039 -2.592573
H -5.227829 2.534212 1.676292
H 1.487134 6.433060 0.407047
H -5.875833 3.164242 -0.663944


