%chk=000229193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229193

0 1
S -0.383502 2.330553 1.020747
O 0.076750 3.314217 0.079461
O -0.839532 2.748784 2.330072
O -5.567483 -1.392751 -0.840819
O -4.418829 -1.452362 -2.673928
N 1.414107 0.618286 0.291111
N 0.883291 1.210807 1.411417
N -4.599347 -1.100022 -1.520987
C 4.297225 -2.404845 0.341991
C 3.285177 -2.162850 -0.796918
C 3.808054 -1.732227 1.641812
C 2.958965 -0.677842 -1.000224
C 3.488835 -0.242286 1.456231
C 2.537623 -0.040218 0.303748
C 5.706378 -1.943432 -0.041651
C -1.602340 1.333778 0.277039
C -2.729308 0.967903 1.018453
C -1.445816 0.915362 -1.045902
C -3.718772 0.171633 0.434668
C -2.427640 0.116845 -1.643898
C -3.551473 -0.245113 -0.892399
H 4.339028 -3.508970 0.528603
H 2.350666 -2.715729 -0.575744
H 3.673013 -2.587034 -1.742367
H 4.568349 -1.850885 2.436705
H 2.902244 -2.258058 2.003585
H 2.173859 -0.566055 -1.776546
H 3.846780 -0.136435 -1.389581
H 4.424019 0.322045 1.251246
H 3.091600 0.170304 2.403703
H 6.062810 -2.456759 -0.941517
H 5.741872 -0.867621 -0.245391
H 6.425848 -2.148314 0.758516
H 1.442932 1.307496 2.272177
H -2.843655 1.306170 2.057634
H -0.555799 1.204379 -1.620131
H -4.610432 -0.125510 0.997606
H -2.324196 -0.222546 -2.680322


%chk=000229193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229193

0 1
S -0.376494 2.471266 0.826088
O 0.142882 3.404087 -0.400978
O -0.849557 3.093811 2.252516
O -5.683769 -1.580590 -0.530449
O -4.863723 -1.306420 -2.641225
N 1.511439 0.581668 0.209289
N 0.906828 1.095958 1.350093
N -4.834673 -1.092721 -1.369722
C 4.420167 -2.463446 0.357639
C 3.519545 -2.159431 -0.871087
C 3.763320 -1.890574 1.642830
C 3.203093 -0.644149 -1.015236
C 3.446699 -0.367442 1.537352
C 2.652120 -0.073436 0.274751
C 5.874410 -1.968433 0.163989
C -1.740034 1.357910 0.151671
C -2.668465 0.831039 1.064164
C -1.777050 1.133040 -1.233679
C -3.701792 0.017553 0.556346
C -2.809892 0.317175 -1.740164
C -3.746496 -0.226978 -0.834313
H 4.463827 -3.566051 0.475456
H 2.564950 -2.712928 -0.768230
H 4.005886 -2.521310 -1.797264
H 4.422536 -2.061441 2.515561
H 2.817004 -2.432144 1.839143
H 2.480980 -0.464122 -1.829399
H 4.134965 -0.101554 -1.276536
H 4.399108 0.199062 1.501912
H 2.906868 -0.048106 2.448053
H 6.329307 -2.433428 -0.730070
H 5.936387 -0.872304 0.032942
H 6.499140 -2.234387 1.036848
H 1.514439 1.586703 2.046654
H -2.591574 1.065321 2.130293
H -1.031163 1.593882 -1.887619
H -4.460527 -0.423527 1.207330
H -2.899389 0.097144 -2.806751


