%chk=000259529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259529

0 1
S 3.340597 0.128133 1.253221
S -3.305623 0.235982 0.190736
O 9.528322 -1.663387 -0.474574
O 8.626843 -3.608833 -0.187753
O -9.942876 -0.010643 -0.446687
O -9.607611 -1.705699 0.854122
N 2.784429 2.251448 -0.423425
N 8.586896 -2.389236 -0.195791
N -9.217829 -0.754571 0.195588
C 1.364047 2.018136 -0.520369
C -1.435551 1.804147 -0.727591
C 3.385299 1.940811 0.867753
C 0.527147 2.680220 0.405200
C 0.785720 1.243067 -1.542479
C -0.855809 2.569059 0.299730
C -0.602364 1.143091 -1.642295
C -2.919171 1.692336 -0.838089
C 3.607590 1.824963 -1.586094
C 4.902041 -0.527959 0.803342
C -5.042582 0.027842 0.130660
C 4.985566 -1.929076 0.796445
C 6.010715 0.266297 0.493096
C -5.530785 -1.058548 0.877046
C -5.907593 0.856013 -0.591486
C 7.306933 -1.742902 0.154196
C 6.193413 -2.541194 0.472311
C 7.222421 -0.341563 0.165833
C -7.768498 -0.483550 0.173335
C -6.897473 -1.316773 0.899761
C -7.279534 0.600686 -0.571507
H 2.815863 2.422460 1.697211
H 4.430873 2.318559 0.913116
H 0.959616 3.293539 1.194330
H 1.406016 0.702562 -2.254533
H -1.492094 3.081987 1.022204
H -1.037601 0.534981 -2.436532
H -3.438681 2.593929 -0.459542
H -3.253677 1.539113 -1.882417
H 4.622444 2.245597 -1.489651
H 3.176457 2.246837 -2.511460
H 3.694171 0.731937 -1.704398
H 4.115395 -2.542944 1.042528
H 5.944519 1.355867 0.513501
H -4.849254 -1.701734 1.439000
H -5.536957 1.699134 -1.172061
H 6.287665 -3.633459 0.460002
H 8.106508 0.258185 -0.079232
H -7.304712 -2.157266 1.473541
H -7.977729 1.235315 -1.129240


%chk=000259529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259529

0 1
S 3.850231 0.601927 1.729162
S -3.630779 -0.322027 -0.020368
O 10.128362 -1.125018 -0.317121
O 9.182849 -3.196689 -0.142529
O -10.311323 1.100680 -0.101857
O -10.349892 -1.070579 0.606312
N 2.752339 1.558738 -0.783084
N 9.132037 -1.907482 -0.054568
N -9.722088 -0.005242 0.223861
C 1.337572 1.498569 -0.711879
C -1.534273 1.443878 -0.621150
C 3.530208 1.991540 0.324543
C 0.634444 1.816988 0.488466
C 0.573175 1.124388 -1.856255
C -0.771079 1.791966 0.522363
C -0.832532 1.101683 -1.804166
C -3.039170 1.422557 -0.574393
C 3.446358 0.896685 -1.905840
C 5.432147 -0.112112 1.158986
C -5.441967 -0.144920 0.024919
C 5.535230 -1.524432 1.038938
C 6.569087 0.699713 0.894764
C -6.179703 -1.290275 0.441017
C -6.135538 1.044729 -0.324832
C 7.857759 -1.289870 0.368403
C 6.749325 -2.120570 0.650899
C 7.782858 0.116871 0.487793
C -8.250828 -0.054620 0.155440
C -7.580715 -1.250464 0.507627
C -7.539726 1.092453 -0.260043
H 3.047958 2.797087 0.894532
H 4.538655 2.295547 0.012934
H 1.172926 2.058196 1.408905
H 1.069894 0.861172 -2.793702
H -1.284273 2.033586 1.460780
H -1.393275 0.813707 -2.701476
H -3.438710 2.139311 0.161668
H -3.483959 1.610628 -1.565366
H 4.532521 0.926959 -1.729752
H 3.238451 1.410648 -2.862588
H 3.143803 -0.163571 -1.998901
H 4.658273 -2.146050 1.243570
H 6.516830 1.783365 1.044914
H -5.650573 -2.209754 0.713046
H -5.595556 1.938195 -0.648948
H 6.850858 -3.204429 0.551490
H 8.670939 0.720789 0.283700
H -8.162952 -2.119220 0.825341
H -8.092677 1.997661 -0.524956


