%chk=000215923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215923

0 1
S -4.448248 -1.488555 -1.564647
O 2.855857 0.722734 0.931927
O 3.639059 0.124820 -1.779191
O -6.964675 0.046000 0.933548
N -1.037610 0.792616 0.419983
N -4.731824 0.116473 0.486961
C -3.614330 -0.345033 -0.354632
C -2.964802 0.792545 -1.144614
C -2.580084 -1.152490 0.430764
C -2.065477 1.656949 -0.245055
C -1.686782 -0.241389 1.289683
C -0.053763 1.615196 1.196687
C 1.066202 2.089672 0.254229
C -6.125350 -1.285114 -0.916673
C -6.037921 -0.330591 0.245642
C 1.941143 0.923358 -0.202566
C 2.762824 1.240271 -1.458142
C 3.944908 -0.077817 0.643276
C 4.342775 -0.355549 -0.685127
C 4.671508 -0.587857 1.721933
C 5.452418 -1.162678 -0.942992
C 5.788284 -1.388770 1.457166
C 6.168967 -1.679225 0.142757
H -3.728424 1.429000 -1.633767
H -2.350131 0.366687 -1.968250
H -1.938226 -1.721785 -0.277963
H -3.066860 -1.912354 1.073881
H -1.532007 2.404189 -0.873541
H -2.684687 2.231773 0.477052
H -2.274355 0.196262 2.124672
H -0.880202 -0.856426 1.749980
H -0.515693 2.490360 1.700915
H 0.402403 0.994871 2.003057
H -4.544182 0.761845 1.250220
H 0.638139 2.609154 -0.624918
H 1.696592 2.833633 0.787072
H -6.544000 -2.261675 -0.597356
H -6.805253 -0.894323 -1.701280
H 1.370676 -0.026919 -0.321640
H 2.145681 1.317519 -2.370689
H 3.392516 2.138821 -1.337114
H 4.362385 -0.360232 2.739099
H 5.741483 -1.374991 -1.969880
H 6.363601 -1.792598 2.288688
H 7.035767 -2.311274 -0.042857


%chk=000215923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215923

0 1
S -4.237624 -1.945932 -1.356283
O 2.657029 0.736925 0.889647
O 3.823762 0.580356 -1.783818
O -6.888398 0.054395 0.878027
N -0.976544 0.899249 0.471821
N -4.579808 -0.002814 0.476784
C -3.440067 -0.549829 -0.277511
C -2.790615 0.511612 -1.195917
C -2.369121 -1.163655 0.651308
C -2.002366 1.555316 -0.371888
C -1.590819 -0.066783 1.413481
C -0.057625 1.857033 1.136201
C 1.035063 2.386754 0.180509
C -5.983432 -1.512910 -0.795680
C -5.886330 -0.412843 0.269517
C 1.949008 1.263768 -0.315035
C 2.996421 1.722013 -1.336584
C 3.712920 -0.152698 0.584476
C 4.273186 -0.236312 -0.720371
C 4.213981 -0.970567 1.618022
C 5.307964 -1.155621 -0.986675
C 5.258984 -1.882107 1.352637
C 5.799307 -1.981870 0.047047
H -3.571871 1.004491 -1.801268
H -2.093720 0.000101 -1.884399
H -1.655810 -1.737838 0.032187
H -2.849667 -1.861634 1.359074
H -1.507904 2.261121 -1.062709
H -2.711760 2.164688 0.252031
H -2.275125 0.444447 2.144061
H -0.787703 -0.539295 2.006420
H -0.611411 2.720932 1.579714
H 0.446727 1.329860 1.965390
H -4.412403 0.725889 1.174966
H 0.577362 2.888989 -0.694189
H 1.642332 3.143682 0.713367
H -6.470063 -2.398592 -0.358661
H -6.583999 -1.148583 -1.644298
H 1.339331 0.439643 -0.736229
H 2.522620 2.109682 -2.253001
H 3.651956 2.498899 -0.894191
H 3.770698 -0.883176 2.615256
H 5.716733 -1.200851 -2.001058
H 5.643420 -2.515081 2.159092
H 6.603682 -2.693751 -0.164971


