%chk=000227990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227990

0 1
S -1.311518 -1.129352 -1.607900
O -1.883705 -0.551223 -2.798087
O -1.629512 -2.495756 -1.275641
N 2.035412 0.322997 -0.323206
N 0.383211 -0.844681 -1.519544
C 0.720638 -0.025368 -0.526296
C -0.461608 0.478680 0.284865
C -1.658555 -0.084104 -0.219039
C 2.529480 1.066887 0.860207
C 3.085576 -0.227180 -1.238642
C -0.519289 1.359179 1.351953
C -2.884465 0.202429 0.334758
C 2.681151 0.160542 2.079942
C 3.363580 0.747974 -2.378216
C -1.772714 1.659696 1.926531
C -2.940179 1.089427 1.432785
H 3.510118 1.529353 0.597320
H 1.844528 1.920352 1.088139
H 4.005774 -0.430379 -0.650504
H 2.743874 -1.209705 -1.654372
H 0.378147 1.835218 1.753783
H -3.804172 -0.237514 -0.057358
H 1.727535 -0.298023 2.373881
H 3.379189 -0.665546 1.890513
H 3.061244 0.717375 2.944245
H 2.461780 0.899132 -2.992121
H 3.686299 1.731320 -2.022902
H 4.141390 0.357109 -3.044948
H -1.816141 2.351189 2.769093
H -3.903370 1.324872 1.884762


%chk=000227990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227990

0 1
S -1.402054 -0.842064 -1.931183
O -1.881526 0.014204 -3.222915
O -1.913733 -2.376493 -1.788532
N 2.008260 0.209286 -0.205164
N 0.466827 -0.677641 -1.705047
C 0.690831 -0.008925 -0.549150
C -0.498818 0.417118 0.290948
C -1.730653 0.092651 -0.312772
C 2.498105 1.221490 0.761442
C 3.055116 -0.410638 -1.068593
C -0.561575 1.012598 1.576955
C -2.989450 0.341613 0.234403
C 2.958596 0.613363 2.104178
C 3.366442 0.418271 -2.332858
C -1.818827 1.289191 2.163907
C -3.027614 0.971913 1.502748
H 3.354719 1.733416 0.282471
H 1.731375 1.998414 0.910139
H 3.960688 -0.529070 -0.445058
H 2.698099 -1.411517 -1.363594
H 0.337384 1.248540 2.147057
H -3.905470 0.054189 -0.290234
H 2.133335 0.098418 2.626095
H 3.761763 -0.127554 1.944206
H 3.354945 1.404790 2.766595
H 2.473658 0.475842 -2.976038
H 3.696104 1.443185 -2.080129
H 4.177005 -0.066805 -2.906196
H -1.850064 1.751448 3.156017
H -3.989768 1.195667 1.974303


