%chk=000290683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290683

0 1
S -4.574054 -1.249930 -1.032483
O 1.953318 -0.246827 1.147881
O 2.907508 2.520569 0.007803
O 3.124350 -0.398040 -2.057577
O 5.491471 -0.917921 0.675054
N 0.058001 0.365607 -0.101234
N 0.033867 -0.423408 -1.234570
N -1.649847 1.112668 1.579512
N -3.891522 0.289583 1.056394
C 2.296041 1.379674 -0.594160
C 3.319156 0.230113 -0.804475
C 1.327704 0.858643 0.500644
C 3.079826 -0.750952 0.368200
C 4.248964 -0.783849 1.367128
C -1.223423 0.440259 0.459101
C -2.092938 -0.321310 -0.410735
C -1.232243 -0.831465 -1.446712
C -3.452245 -0.356257 -0.042415
C -2.975069 0.996648 1.819978
C -6.171962 -1.040877 -0.233304
H 1.797286 1.673416 -1.542738
H 4.377005 0.584585 -0.851791
H 1.088745 1.595324 1.312435
H 2.780613 -1.758289 0.013239
H 4.129518 -1.593574 2.107101
H 4.352541 0.185093 1.898710
H 3.491877 2.974788 -0.639106
H 2.193738 -0.732203 -2.154134
H -1.521724 -1.449432 -2.285747
H 5.545915 -1.786174 0.222962
H -3.380577 1.510639 2.708254
H -6.470205 0.016308 -0.183637
H -6.167524 -1.423097 0.797929
H -6.919610 -1.595214 -0.815109


%chk=000290683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290683

0 1
S -4.711420 -1.208131 -1.180664
O 2.012876 -0.530614 1.115245
O 2.943576 2.327495 0.321705
O 2.684824 -0.559027 -2.077811
O 5.750252 -0.650070 0.611494
N 0.034727 0.166378 -0.063403
N 0.032099 -0.601737 -1.236789
N -1.633191 0.978904 1.555683
N -3.918606 0.295694 0.980228
C 2.252684 1.291425 -0.457027
C 3.199931 0.137865 -0.909055
C 1.295122 0.614935 0.553203
C 3.282143 -0.760906 0.348407
C 4.460923 -0.437942 1.288303
C -1.247635 0.300607 0.435350
C -2.118439 -0.401686 -0.465853
C -1.257315 -0.939243 -1.478724
C -3.505268 -0.368253 -0.130028
C -2.974799 0.928939 1.759430
C -6.305048 -0.818417 -0.258851
H 1.719541 1.723006 -1.325592
H 4.199998 0.504862 -1.193945
H 1.011631 1.300100 1.369201
H 3.291528 -1.824889 0.045472
H 4.375911 -1.046345 2.210662
H 4.445624 0.628235 1.560789
H 3.650887 2.734533 -0.239249
H 1.701292 -0.746481 -1.928755
H -1.503753 -1.537166 -2.353478
H 5.861757 -1.614473 0.414353
H -3.357296 1.450132 2.641295
H -6.458077 0.268809 -0.233115
H -6.241546 -1.211313 0.764659
H -7.100432 -1.320128 -0.830742


