%chk=000289344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289344

0 1
S -1.916558 0.138158 -0.282776
O 0.662426 -0.168490 -0.044348
O 1.390304 0.207354 2.064030
N -5.877296 0.851624 0.096130
C 0.094872 -1.462280 0.366295
C -1.203676 -1.530874 -0.429352
C 1.065084 -2.551873 -0.023969
C -3.708319 -0.208983 -0.296650
C -4.396284 1.108043 0.065704
C 1.140855 -3.718335 0.749769
C 1.877736 -2.408529 -1.156723
C -6.556849 1.794962 1.033148
C -6.468997 0.965032 -1.270180
C 2.022592 -4.739300 0.383694
C 2.761054 -3.429839 -1.515734
C 1.288407 0.595800 0.922678
C 2.832248 -4.596926 -0.748042
C 1.772555 1.866896 0.333638
C 2.659711 2.650967 1.089363
C 1.355795 2.290807 -0.936580
C 3.132408 3.856224 0.566874
C 1.832271 3.499250 -1.451544
C 2.719268 4.279171 -0.701982
H -0.077623 -1.432185 1.471225
H -1.874236 -2.313477 -0.035431
H -1.021266 -1.761834 -1.496571
H -4.020197 -0.574909 -1.290421
H -3.968893 -0.996588 0.434908
H -4.061237 1.441290 1.074778
H -4.110177 1.916299 -0.642269
H 0.521930 -3.830386 1.638687
H 1.821310 -1.490449 -1.743925
H -7.632679 1.557525 1.061858
H -6.446010 2.859932 0.783516
H -6.166370 1.631313 2.050931
H -5.964796 0.254611 -1.944316
H -6.409844 1.966908 -1.719909
H -7.529399 0.668872 -1.222931
H 2.081921 -5.645131 0.984811
H 3.395225 -3.315298 -2.393156
H 3.519952 -5.392533 -1.028849
H 2.969932 2.311551 2.081182
H 0.658943 1.673469 -1.511555
H 3.821248 4.467202 1.148183
H 1.510694 3.832959 -2.436808
H 3.089665 5.221001 -1.106683


%chk=000289344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289344

0 1
S -2.251447 0.559893 -1.754000
O 0.743218 0.241461 -0.642380
O 0.706667 0.517776 1.677348
N -5.722752 0.452525 0.543088
C -0.153549 -0.951712 -0.507620
C -1.074468 -0.915470 -1.736784
C 0.688028 -2.218970 -0.438812
C -3.625982 -0.161139 -0.656300
C -4.577377 0.975038 -0.240962
C 0.503288 -3.137453 0.622749
C 1.646001 -2.506878 -1.444987
C -6.287916 1.453224 1.471998
C -6.767807 -0.167528 -0.297003
C 1.252498 -4.334939 0.672321
C 2.398738 -3.699291 -1.393423
C 1.103534 0.890590 0.545362
C 2.200545 -4.619811 -0.336857
C 1.997099 2.058209 0.291864
C 2.477903 2.782910 1.413440
C 2.366889 2.455400 -1.019326
C 3.324143 3.894486 1.225186
C 3.213224 3.569155 -1.202725
C 3.693657 4.289498 -0.083108
H -0.734318 -0.833782 0.425041
H -1.677082 -1.838820 -1.782036
H -0.482120 -0.842593 -2.664136
H -4.145637 -0.945168 -1.232908
H -3.170708 -0.609141 0.242534
H -4.015033 1.685924 0.391306
H -4.913207 1.540185 -1.147826
H -0.215974 -2.907906 1.417939
H 1.815981 -1.786836 -2.253747
H -7.069440 0.978485 2.092489
H -6.748633 2.333556 0.955558
H -5.497344 1.825426 2.146938
H -6.334649 -0.962606 -0.927777
H -7.280045 0.566709 -0.970414
H -7.533870 -0.632402 0.348984
H 1.104446 -5.037350 1.500065
H 3.141071 -3.911252 -2.171134
H 2.785501 -5.545537 -0.296822
H 2.176572 2.458299 2.414877
H 1.984526 1.893037 -1.875326
H 3.695293 4.452059 2.091867
H 3.497237 3.877606 -2.214745
H 4.350999 5.154133 -0.229097


