%chk=000239744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239744

0 1
S 1.267795 -0.486726 -0.501969
O 4.621581 3.054268 0.103664
O 3.475892 2.074342 1.647509
N -3.708941 -0.739523 -0.710435
N -1.710484 -0.643688 -1.854553
N -2.813050 -0.691172 1.623544
N -0.328261 -0.597276 1.643188
N -1.586104 -0.773070 3.644716
N 4.185420 2.056176 0.654558
C -5.164467 -0.727929 -0.474024
C -5.737762 0.688500 -0.634452
C -2.708504 -0.686047 0.258566
C -7.257121 0.689081 -0.423515
C -1.455318 -0.635268 -0.474166
C -3.039023 -0.694816 -1.981178
C -0.279883 -0.582570 0.301003
C -7.840838 2.090317 -0.583040
C 2.462102 -0.438339 0.871568
C 3.792136 -0.411862 0.205389
C -1.591139 -0.668203 2.261300
C 4.583066 0.748222 0.086005
C 4.281577 -1.606168 -0.360918
C 5.814837 0.716963 -0.597883
C 5.505922 -1.639330 -1.024626
C 6.276433 -0.474278 -1.146979
H -5.647562 -1.437015 -1.183617
H -5.359217 -1.111057 0.558405
H -5.491142 1.095398 -1.634352
H -5.253425 1.374290 0.091217
H -7.742263 -0.000571 -1.142244
H -7.498869 0.298282 0.585415
H -3.592675 -0.715112 -2.909346
H -8.926091 2.087085 -0.427699
H -7.410232 2.793557 0.139975
H -7.655086 2.497248 -1.583880
H 2.333107 -1.319639 1.536302
H 2.259711 0.436016 1.537841
H 3.683986 -2.517761 -0.283224
H 6.398525 1.639739 -0.695380
H 5.865961 -2.575689 -1.455534
H 7.230344 -0.501115 -1.673465
H -2.454402 -0.628147 4.140246
H -0.736336 -0.542612 4.140368


%chk=000239744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239744

0 1
S 1.279406 1.435495 -0.970378
O 6.531981 1.994513 -0.957501
O 5.010545 2.867391 0.490967
N -3.480548 -0.214758 -1.215479
N -1.720734 0.819609 -2.283001
N -2.436692 -0.642453 0.982369
N -0.107538 0.151681 1.056402
N -1.107751 -0.886339 2.903831
N 5.511112 1.877217 -0.174811
C -4.835968 -0.736832 -0.963982
C -5.794433 0.331024 -0.389994
C -2.437538 -0.173763 -0.291966
C -7.205520 -0.243325 -0.130747
C -1.350109 0.466951 -0.971111
C -2.992016 0.400526 -2.386391
C -0.159092 0.613771 -0.217023
C -8.176726 0.813887 0.436755
C 2.507560 1.406332 0.493336
C 3.549847 0.320752 0.331291
C -1.230498 -0.445644 1.604467
C 4.917801 0.522644 -0.014560
C 3.130674 -1.029769 0.483818
C 5.813170 -0.556157 -0.220942
C 4.014567 -2.111678 0.308942
C 5.363901 -1.876635 -0.051905
H -5.231902 -1.140195 -1.914706
H -4.737720 -1.576080 -0.251976
H -5.861313 1.184078 -1.094170
H -5.370626 0.723855 0.554099
H -7.617346 -0.655195 -1.075099
H -7.130429 -1.094459 0.576129
H -3.609031 0.502810 -3.277102
H -9.177934 0.383397 0.619646
H -7.803147 1.221141 1.394681
H -8.295668 1.661031 -0.264350
H 1.871804 1.204362 1.372699
H 2.929650 2.415198 0.544444
H 2.079546 -1.206746 0.736761
H 6.845034 -0.334913 -0.506176
H 3.653254 -3.136547 0.445589
H 6.055725 -2.712054 -0.198180
H -1.906399 -1.322838 3.355108
H -0.238700 -0.726781 3.404518


