%chk=000210388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210388

0 1
S -5.457724 -0.539343 0.452082
S -7.008581 0.396974 -0.056329
O -4.199091 0.263715 -0.221715
O -5.351818 -1.959102 -0.401864
O -5.101826 -0.929859 1.779584
N -0.567006 0.644582 -0.184596
C 2.389528 0.052781 -0.033270
C 3.871877 0.212046 0.369451
C 1.820461 1.407563 -0.538493
C 4.448999 -1.112717 0.905878
C 2.264360 -1.053975 -1.100411
C 4.316450 -2.218712 -0.160483
C 2.855680 -2.378876 -0.599166
C 1.848156 2.464676 0.587772
C 0.397923 1.281478 -1.133824
C 5.913831 -0.934411 1.322143
C 1.654490 3.886886 0.069744
C -1.983516 0.976286 -0.515192
C -2.837162 -0.174192 0.040385
H 1.805854 -0.264973 0.864124
H 4.464262 0.553636 -0.499224
H 3.973374 1.004248 1.136568
H 2.479693 1.765527 -1.369544
H 3.860570 -1.417571 1.806159
H 1.197499 -1.206136 -1.358237
H 2.772953 -0.743571 -2.031003
H 4.947623 -1.976016 -1.035632
H 4.700062 -3.175811 0.236405
H 2.249863 -2.761507 0.244952
H 2.784565 -3.143211 -1.395377
H 2.819074 2.402088 1.126175
H 1.078975 2.231197 1.348938
H 0.066247 2.288222 -1.473650
H 0.427427 0.638057 -2.042663
H 6.018011 -0.170572 2.099714
H 6.330177 -1.865636 1.720876
H 6.542656 -0.630587 0.478422
H 0.689258 4.010775 -0.434762
H 2.436421 4.166389 -0.645995
H 1.689360 4.613526 0.889908
H -0.359006 0.948376 0.775208
H -2.336389 1.944795 -0.099697
H -2.131585 1.042277 -1.616111
H -2.701199 -0.320979 1.127306
H -2.667223 -1.118277 -0.507404
H -5.078053 -2.757964 0.086647


%chk=000210388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210388

0 1
S -3.116568 -2.295741 0.504616
S -5.092900 -3.083862 0.486695
O -3.122307 -0.349939 0.378443
O -2.258295 -2.550398 -1.165783
O -2.002537 -2.789188 1.580781
N -0.649982 2.374940 -0.134708
C 1.795877 0.313358 -0.170599
C 3.143673 -0.019974 0.525984
C 1.743276 1.755810 -0.781679
C 3.176851 -1.451489 1.126268
C 1.509425 -0.771141 -1.248252
C 2.847660 -2.509558 0.044411
C 1.506458 -2.199323 -0.654976
C 2.359643 2.842912 0.148894
C 0.302616 2.153502 -1.234717
C 4.533357 -1.737746 1.805210
C 2.295644 4.284250 -0.406660
C -1.940042 1.725635 -0.082329
C -1.795790 0.212714 0.386676
H 1.002198 0.248056 0.607259
H 3.971968 0.083315 -0.209328
H 3.347547 0.701763 1.339764
H 2.354342 1.746786 -1.712408
H 2.379563 -1.508276 1.899958
H 0.545919 -0.587171 -1.760854
H 2.298368 -0.704516 -2.027849
H 3.663332 -2.518479 -0.709864
H 2.821325 -3.518192 0.501741
H 0.680566 -2.293127 0.081520
H 1.313451 -2.938299 -1.458006
H 3.420292 2.588643 0.326976
H 1.877742 2.805737 1.150201
H 0.374856 3.073800 -1.852078
H -0.115798 1.375072 -1.899030
H 4.751038 -1.000197 2.600662
H 4.546859 -2.744167 2.263610
H 5.358322 -1.692408 1.067632
H 1.260355 4.663239 -0.482022
H 2.747797 4.339731 -1.415075
H 2.854625 4.977394 0.248247
H -0.272377 2.749450 0.736803
H -2.605085 2.247571 0.625947
H -2.420772 1.725245 -1.075249
H -1.341855 0.183888 1.397219
H -1.143413 -0.304303 -0.341320
H -1.571724 -3.263213 -0.998931


