%chk=000297911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297911

0 1
S 1.233910 1.177187 2.508286
S -3.024100 0.749670 -0.994214
O 3.242696 -2.183725 -1.015910
O 2.165259 4.988045 -0.828532
O -3.628907 -4.310650 -0.133109
N 0.980930 -0.587237 -0.365191
N 0.859335 2.854478 0.523253
N -2.411593 -1.763604 -0.464800
C 0.093762 0.522002 0.077552
C -1.143641 -0.047501 0.807671
C 1.931806 -0.150424 -1.441363
C 1.744774 -1.301706 0.705411
C 0.740026 1.588901 0.964430
C 2.574028 -1.417411 -2.035943
C 2.362404 -2.556175 0.066124
C -2.179490 -0.467035 -0.195580
C 0.360893 3.342284 -0.794112
C 1.545448 3.929138 1.296833
C -1.658736 -2.892130 0.151491
C -3.466897 -2.225031 -1.411347
C 1.525792 3.949275 -1.591531
C 2.672913 4.524669 0.439920
C -2.643136 -3.867709 0.817054
C -4.390507 -3.222351 -0.696202
H -0.279088 1.013353 -0.882882
H -0.840473 -0.863887 1.502889
H -1.587822 0.730322 1.477892
H 1.370861 0.387567 -2.233548
H 2.723177 0.532188 -1.062838
H 2.558720 -0.682854 1.151524
H 1.063098 -1.573452 1.537584
H 1.823816 -2.058052 -2.532245
H 3.397946 -1.178698 -2.731300
H 3.047973 -3.078839 0.756774
H 1.598159 -3.252069 -0.318262
H -0.144122 2.525722 -1.368524
H -0.424733 4.115401 -0.609011
H 0.793726 4.708686 1.561033
H 1.956225 3.546533 2.264803
H -0.906856 -2.518692 0.885823
H -1.081351 -3.408511 -0.652482
H -2.970385 -2.703357 -2.286892
H -4.062966 -1.367025 -1.813441
H 1.172969 4.494722 -2.487417
H 2.275210 3.191329 -1.878791
H 3.488084 3.800838 0.263688
H 3.080317 5.453159 0.882238
H -2.152818 -4.814451 1.110968
H -3.150696 -3.417458 1.688537
H -4.984186 -2.741191 0.101344
H -5.060456 -3.745246 -1.403855


%chk=000297911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297911

0 1
S 0.732961 1.212189 2.695767
S -2.853189 0.270285 -1.698912
O 3.005054 -1.909779 -1.457564
O 2.689961 4.976144 -0.586278
O -3.590188 -4.608992 0.229753
N 0.806065 -0.298843 -0.493048
N 1.001014 2.893282 0.560476
N -2.334518 -2.054754 -0.360566
C -0.142934 0.712717 0.051793
C -1.396512 0.036264 0.666260
C 1.590564 0.125378 -1.675287
C 1.645416 -1.079093 0.449247
C 0.521999 1.693535 1.045702
C 2.170285 -1.118994 -2.375003
C 2.210105 -2.308748 -0.283970
C -2.180143 -0.693497 -0.422879
C 0.682108 3.517064 -0.755754
C 1.759696 3.837540 1.426215
C -1.767813 -2.970313 0.664169
C -3.070197 -2.811049 -1.409813
C 1.967868 4.027139 -1.440584
C 3.021549 4.329960 0.696379
C -2.886567 -3.847274 1.268975
C -4.162060 -3.681724 -0.765071
H -0.539553 1.250722 -0.826833
H -1.096566 -0.576573 1.529608
H -2.047018 0.835967 1.063103
H 0.923194 0.651091 -2.384011
H 2.431939 0.809247 -1.401058
H 2.491624 -0.475609 0.851032
H 1.042382 -1.395019 1.317706
H 1.334005 -1.744437 -2.755725
H 2.833853 -0.834974 -3.208818
H 2.903784 -2.871491 0.362506
H 1.375946 -2.970608 -0.607564
H 0.162499 2.814338 -1.420440
H 0.007011 4.376925 -0.571209
H 1.105082 4.697159 1.672221
H 2.016153 3.314389 2.363157
H -1.263668 -2.410402 1.463111
H -1.018670 -3.621063 0.170144
H -2.345494 -3.454669 -1.946169
H -3.500300 -2.082716 -2.118472
H 1.716473 4.583251 -2.358545
H 2.625691 3.168009 -1.696814
H 3.712716 3.477904 0.520111
H 3.535058 5.101804 1.291822
H -2.459523 -4.599302 1.952658
H -3.604665 -3.206313 1.825316
H -4.925655 -3.035211 -0.282746
H -4.645522 -4.321857 -1.520298


