%chk=000297810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297810

0 1
S -2.941489 -0.493279 0.450741
O 3.727635 -0.722643 0.600295
O -3.631611 -0.859730 -0.775228
O -3.280043 -1.184708 1.678964
O 5.261296 0.713624 1.359976
N -3.125000 1.189552 0.777362
C 2.980368 -1.008474 -0.627647
C 1.504949 -0.856224 -0.341216
C 3.508658 -0.027026 -1.701640
C -1.233980 -0.617646 0.151635
C -4.183964 1.543542 1.761794
C -2.961858 2.124414 -0.367432
C 0.582967 -1.128825 -1.365669
C 1.054367 -0.474691 0.926991
C 4.526859 0.817646 -0.997182
C -0.784413 -1.008029 -1.114308
C -0.318088 -0.358738 1.172840
C 4.607478 0.349953 0.423388
C -5.613383 1.240722 1.315831
C -4.020110 2.016788 -1.462825
C 5.254857 1.812163 -1.493653
H 3.236031 -2.070321 -0.847482
H 2.695695 0.596399 -2.125608
H 3.954012 -0.571160 -2.556523
H -3.957608 0.981369 2.702529
H -4.082944 2.624858 2.006758
H -2.946661 3.163302 0.037919
H -1.948081 1.950338 -0.798396
H 0.926515 -1.441377 -2.349759
H 1.779262 -0.280814 1.723786
H -1.509046 -1.225373 -1.909673
H -0.664777 -0.068403 2.170092
H -5.849171 1.706046 0.347212
H -5.791894 0.161612 1.208379
H -6.339802 1.609759 2.048291
H -4.060991 1.003514 -1.899932
H -5.028812 2.219702 -1.072467
H -3.827122 2.721072 -2.276823
H 5.192721 2.144543 -2.522162
H 5.972676 2.368943 -0.896757


%chk=000297810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297810

0 1
S -3.021529 -0.504487 0.573968
O 3.844524 -0.865956 0.466543
O -3.775903 -1.212328 -0.698126
O -3.242378 -1.070843 2.085495
O 5.955116 -0.174009 1.178170
N -3.318065 1.336505 0.706005
C 3.017055 -0.732752 -0.773241
C 1.545652 -0.691972 -0.411278
C 3.553667 0.556452 -1.478652
C -1.175020 -0.532138 0.167966
C -4.386340 1.659428 1.697852
C -3.268372 2.031824 -0.609886
C 0.587036 -1.058536 -1.388890
C 1.117842 -0.267933 0.872192
C 4.963144 0.684215 -0.936144
C -0.794317 -0.978083 -1.106808
C -0.258827 -0.189090 1.174935
C 5.049274 -0.117208 0.331684
C -5.803001 1.080189 1.470648
C -4.488463 1.942749 -1.557624
C 6.023371 1.375616 -1.419711
H 3.234608 -1.622842 -1.393575
H 2.941320 1.426883 -1.176690
H 3.506734 0.471775 -2.576430
H -4.017114 1.320196 2.681402
H -4.413631 2.767231 1.719835
H -3.056027 3.091183 -0.361123
H -2.367541 1.655367 -1.132821
H 0.914146 -1.418290 -2.371865
H 1.864909 -0.031613 1.635302
H -1.558007 -1.277305 -1.832392
H -0.608429 0.113367 2.166693
H -6.252636 1.410448 0.521063
H -5.774140 -0.023169 1.481094
H -6.461398 1.404675 2.297966
H -4.754830 0.890245 -1.752632
H -5.368134 2.467161 -1.147317
H -4.232792 2.423005 -2.520971
H 5.968398 1.961669 -2.343223
H 6.975600 1.360773 -0.877012


