%chk=000215575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215575

0 1
S 3.484238 -1.059574 0.900693
O 0.775324 -1.623529 -1.091671
O 0.766446 -2.971555 0.730192
N -2.502200 -0.143171 -0.183089
C -2.801314 1.304847 0.072055
C -3.322799 -1.030985 0.706979
C -4.290660 1.581302 -0.195527
C -4.818429 -0.788127 0.446624
C -5.184268 0.684467 0.670099
C -1.042484 -0.427400 -0.014357
C -0.679472 -1.495294 -1.055176
C 1.387894 -2.364486 -0.106652
C 2.867926 -2.264267 -0.301387
C 2.944313 0.488241 0.252624
C 3.453107 0.976706 -0.952082
C 2.044957 1.232350 1.019858
C 3.048044 2.239278 -1.398503
C 1.652784 2.497809 0.569849
C 2.151314 2.998171 -0.637961
H -2.537471 1.622368 1.103430
H -2.182081 1.907186 -0.627786
H -3.067429 -2.085601 0.465083
H -3.096960 -0.884004 1.785278
H -4.510740 2.647152 -0.006580
H -4.509561 1.399333 -1.267160
H -5.420694 -1.442001 1.102701
H -5.061729 -1.077963 -0.595341
H -6.248346 0.854685 0.423312
H -5.069770 0.948042 1.738352
H -0.430068 0.482398 -0.203046
H -0.763128 -0.778600 1.003219
H -0.904334 -1.178952 -2.089731
H -1.127614 -2.478744 -0.839310
H 3.361867 -3.236473 -0.082182
H 3.134711 -1.989509 -1.342441
H 4.158142 0.390577 -1.541050
H 1.652665 0.838731 1.958916
H 3.433375 2.631870 -2.338358
H 0.958949 3.092979 1.161213
H 1.840994 3.982143 -0.987686


%chk=000215575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215575

0 1
S 3.360809 -1.141329 1.130614
O 0.693374 -1.330103 -1.137418
O 0.429875 -3.041460 0.436496
N -2.719426 -0.050478 -0.119581
C -3.242195 1.307806 0.172647
C -3.367095 -1.084054 0.730475
C -4.765834 1.367944 -0.061994
C -4.893691 -1.098499 0.515060
C -5.494593 0.300028 0.786004
C -1.243211 -0.145290 -0.110667
C -0.788834 -1.149262 -1.188379
C 1.169023 -2.296057 -0.248271
C 2.682180 -2.294383 -0.235913
C 3.190398 0.510012 0.319087
C 3.990687 0.852317 -0.796009
C 2.293866 1.453640 0.871429
C 3.878876 2.138518 -1.370248
C 2.200355 2.746719 0.304993
C 2.986417 3.088864 -0.819302
H -3.025657 1.609988 1.232211
H -2.727611 2.029591 -0.488831
H -2.935410 -2.071313 0.485785
H -3.150552 -0.894128 1.815197
H -5.136212 2.382232 0.182870
H -4.965059 1.185710 -1.135813
H -5.351212 -1.855769 1.180399
H -5.104090 -1.397600 -0.529997
H -6.579111 0.306046 0.566921
H -5.380904 0.545442 1.862561
H -0.807935 0.844120 -0.340777
H -0.841951 -0.461656 0.881241
H -0.987169 -0.762197 -2.198433
H -1.273582 -2.130746 -1.048870
H 3.057179 -3.292498 0.035515
H 3.095215 -1.963060 -1.198940
H 4.702988 0.125671 -1.202654
H 1.678898 1.175795 1.733810
H 4.496671 2.401360 -2.236052
H 1.511365 3.479878 0.739054
H 2.908658 4.088600 -1.260819


