%chk=000193658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193658

0 1
S -1.538874 -0.626859 -0.936442
O 0.467775 -0.943969 0.520299
O -4.926668 -0.421036 1.473041
O -2.781737 0.195446 1.686152
O 0.015732 1.280176 0.171745
N -4.858298 1.650840 -0.509817
C -3.968650 0.453295 -0.495615
C -2.635535 0.802415 -1.154621
C 2.846341 -0.447606 0.432893
C 1.666216 -0.674939 1.330414
C -3.749253 0.103988 0.979703
C 3.727445 -1.499627 0.145485
C 3.070810 0.822975 -0.118785
C 4.834060 -1.276855 -0.679318
C 4.176795 1.039830 -0.943637
C -0.216698 0.113693 0.031415
C 5.060705 -0.008330 -1.222489
H -4.429564 -0.446813 -0.993095
H -2.747888 1.014623 -2.234262
H -2.190746 1.724314 -0.702313
H 1.724502 -1.610353 1.919290
H 1.458845 0.182000 1.998446
H 3.550161 -2.491538 0.558281
H 2.370483 1.637165 0.089320
H -5.770399 1.422102 -0.115858
H -5.001439 1.985786 -1.457741
H 5.518336 -2.094133 -0.900674
H 4.348921 2.026532 -1.371086
H 5.923135 0.163117 -1.864392
H -4.869412 -0.659039 2.436263


%chk=000193658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193658

0 1
S -1.590705 -0.932198 -0.892600
O 0.597410 -1.280843 0.494781
O -5.377045 0.374405 1.569068
O -3.070511 0.340962 1.833460
O -0.078211 0.966050 0.447006
N -4.954860 1.491454 -0.901850
C -4.073020 0.396830 -0.454613
C -2.659888 0.622300 -1.029619
C 2.984312 -0.514383 0.404765
C 1.831033 -0.903896 1.299099
C -4.058045 0.374383 1.077417
C 3.864507 -1.505145 -0.101041
C 3.204132 0.845956 0.065567
C 4.945373 -1.145366 -0.935654
C 4.286228 1.206831 -0.767156
C -0.231744 -0.231980 0.140295
C 5.158958 0.212883 -1.269006
H -4.430165 -0.618989 -0.762303
H -2.727845 0.868855 -2.101492
H -2.126901 1.428260 -0.499402
H 2.028337 -1.832028 1.856954
H 1.541912 -0.090018 1.985145
H 3.698276 -2.558319 0.156732
H 2.515786 1.609697 0.444013
H -5.829867 1.562343 -0.375110
H -5.082966 1.535789 -1.916185
H 5.620049 -1.917580 -1.321571
H 4.448909 2.259387 -1.024128
H 5.999210 0.494120 -1.913915
H -5.357555 0.357440 2.563945


