%chk=000192729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192729

0 1
S -0.569792 1.256163 -0.756189
O -0.265159 1.285130 -2.168598
O 0.398796 1.879646 0.146313
O -0.781742 -3.071133 0.462100
O 2.777043 -4.856477 -0.345273
O 1.815771 -6.835376 0.077447
N -0.696779 -0.400525 -0.310956
N 0.637933 -3.634499 -1.241055
N 4.676117 0.378106 -0.212470
N 3.248080 2.084093 0.838297
N 4.974509 2.647039 -0.742976
C 0.486399 -1.251619 -0.554864
C 1.647286 -0.975791 0.425199
C 2.993066 -1.463242 -0.114192
C 0.041282 -2.715331 -0.361644
C 4.184460 -0.763348 0.572952
C -2.141664 1.841993 -0.415685
C -2.357481 2.663265 0.699793
C -3.212720 1.521610 -1.260180
C 0.482737 -5.073234 -0.985697
C -4.712232 2.821881 0.136390
C -3.632348 3.149908 0.977624
C -4.491257 2.005043 -0.986985
C -6.074828 3.351746 0.424960
C 4.251378 1.603645 -0.055266
C 1.701507 -5.717299 -0.357050
H 0.821693 -1.072768 -1.616992
H 1.441074 -1.430319 1.414683
H 1.698943 0.121046 0.631473
H 3.065095 -1.292640 -1.208521
H 3.082266 -2.560586 0.024110
H -1.211154 -0.677968 0.539022
H 3.940692 -0.502337 1.625871
H 5.046718 -1.472114 0.619530
H 1.464485 -3.377654 -1.781907
H -1.517463 2.928172 1.354550
H -3.049033 0.891516 -2.141841
H 0.252359 -5.602781 -1.944659
H -0.404265 -5.250000 -0.310781
H -3.792948 3.787904 1.845571
H -5.319279 1.750904 -1.647351
H -6.215893 4.339394 -0.044089
H -6.873836 2.700784 0.041881
H -6.258765 3.481668 1.501292
H 3.070227 3.082365 0.818770
H 2.356776 1.570513 0.816806
H 4.400901 3.196811 -1.373115
H 5.798638 2.302948 -1.234924
H 3.589607 -5.267052 0.061828


%chk=000192729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192729

0 1
S -0.449200 1.394876 -0.332912
O 0.144094 1.673843 -1.820729
O 0.306003 2.058909 0.968139
O -0.353075 -2.750142 1.186701
O 1.877761 -5.540231 -2.099082
O 1.226749 -7.337634 -0.769762
N -0.646399 -0.444284 -0.236199
N 0.749179 -3.698800 -0.621208
N 4.790929 0.422059 -0.279211
N 3.598529 2.268833 0.817974
N 5.171962 2.648718 -0.879130
C 0.600726 -1.232072 -0.498323
C 1.869562 -0.619991 0.162649
C 3.163136 -1.452557 0.122484
C 0.282566 -2.623659 0.090566
C 4.351553 -0.611461 0.672505
C -2.258635 1.897798 -0.233131
C -2.720150 2.464536 0.963349
C -3.062414 1.720753 -1.371855
C 0.569569 -5.062060 -0.118228
C -4.935850 2.699786 -0.097193
C -4.075472 2.864018 1.018807
C -4.409562 2.129183 -1.289468
C -6.389736 3.129808 -0.032385
C 4.489705 1.691997 -0.103776
C 1.235769 -6.111957 -0.989194
H 0.743334 -1.299487 -1.591678
H 1.624363 -0.383690 1.216914
H 2.066240 0.331299 -0.367122
H 3.409745 -1.754994 -0.914946
H 3.057279 -2.372845 0.730711
H -1.007041 -0.678416 0.715349
H 4.064527 -0.201451 1.670876
H 5.207718 -1.296285 0.830437
H 1.269028 -3.577499 -1.493531
H -2.038310 2.603392 1.808666
H -2.646685 1.289865 -2.287764
H -0.505536 -5.315208 -0.036818
H 0.970835 -5.158785 0.909292
H -4.465286 3.309419 1.940813
H -5.062489 2.003015 -2.160910
H -6.611854 3.900577 -0.793702
H -7.066439 2.277165 -0.227353
H -6.647708 3.546610 0.955454
H 3.682534 3.262731 1.021763
H 2.713976 1.826860 1.066856
H 4.667037 3.467773 -1.217131
H 5.904666 2.265839 -1.475406
H 2.309963 -6.246953 -2.648955


