%chk=000194975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194975

0 1
S -0.059863 1.219333 -0.916694
O -0.384448 2.579855 -1.419647
N 1.701737 -0.886172 -0.327067
N -2.844851 1.123203 -1.113090
N -1.939035 -0.602850 0.093811
C 2.567240 0.115271 0.264219
C 2.301390 -1.687833 -1.447321
C 3.796889 -1.464683 -1.725514
C 4.582617 -1.183399 -0.439724
C 3.975616 0.010053 0.239141
C 1.960817 1.266217 0.822793
C 1.043904 -1.755318 0.705267
C 4.764734 1.017830 0.800151
C 0.480030 1.421015 0.823049
C 2.771862 2.266457 1.378902
C 4.161914 2.139007 1.376742
C 1.984706 -2.635132 1.526212
C -1.689668 0.534616 -0.572209
C -3.916954 0.289267 -0.754597
C -3.333261 -0.792553 0.001003
C -5.301311 0.354439 -1.002293
C -4.157586 -1.817245 0.509840
C -6.078873 -0.666942 -0.487517
C -5.514755 -1.738758 0.258639
H 1.714625 -1.399966 -2.351532
H 2.117201 -2.772359 -1.288527
H 3.923130 -0.610148 -2.421609
H 4.213874 -2.345461 -2.247450
H 5.652241 -1.019128 -0.672380
H 4.549495 -2.061009 0.238536
H 0.457731 -1.089294 1.384885
H 0.282053 -2.373492 0.177100
H 5.849397 0.932463 0.786343
H 0.007234 0.640748 1.463742
H 0.148495 2.395205 1.226818
H 2.312767 3.155443 1.809482
H 4.778407 2.920929 1.816502
H 2.535373 -3.345886 0.901016
H 2.724378 -2.034255 2.069845
H 1.425519 -3.216230 2.268449
H -2.885734 1.993486 -1.621491
H -5.729178 1.173100 -1.572068
H -3.717479 -2.633168 1.079087
H -7.156327 -0.662214 -0.651089
H -6.182555 -2.511843 0.636345


%chk=000194975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194975

0 1
S -0.099400 1.387318 -1.009891
O -0.728640 2.941817 -1.231395
N 1.896051 -1.085764 -0.006788
N -2.853080 1.244719 -0.858018
N -1.921424 -0.813981 -0.461676
C 2.661132 0.049067 0.374490
C 2.345908 -1.940251 -1.143505
C 3.679051 -1.476586 -1.764889
C 4.664291 -1.101982 -0.629349
C 4.070219 0.074682 0.124073
C 2.027987 1.223747 0.916571
C 1.087568 -1.819585 1.004706
C 4.834851 1.196936 0.501731
C 0.549762 1.383861 0.918937
C 2.834287 2.329384 1.300521
C 4.231546 2.314895 1.125097
C 1.926302 -2.766172 1.899000
C -1.709364 0.477140 -0.725699
C -3.936561 0.379778 -0.659553
C -3.338963 -0.911025 -0.407939
C -5.333582 0.572851 -0.670683
C -4.159961 -2.034618 -0.160958
C -6.132349 -0.563079 -0.423055
C -5.556586 -1.844438 -0.172442
H 1.547758 -1.958075 -1.913274
H 2.470941 -2.981690 -0.782674
H 3.521150 -0.593791 -2.412158
H 4.076113 -2.289178 -2.401171
H 5.660719 -0.843093 -1.029646
H 4.795879 -1.979705 0.037251
H 0.569609 -1.103381 1.660766
H 0.292165 -2.370679 0.471604
H 5.914494 1.193211 0.307044
H -0.052392 0.574740 1.351857
H 0.201276 2.371249 1.259046
H 2.344165 3.220543 1.710621
H 4.836524 3.174831 1.429810
H 2.423919 -3.560730 1.313752
H 2.702078 -2.201219 2.446774
H 1.271855 -3.260503 2.641142
H -2.782107 2.251581 -1.061725
H -5.783445 1.551982 -0.862447
H -3.714608 -3.015654 0.029870
H -7.222965 -0.459715 -0.423606
H -6.218678 -2.696840 0.013980


