%chk=000254319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254319

0 1
S 2.297157 1.985625 -1.488152
O -3.387660 2.278722 -0.325521
O -3.364075 -2.155309 0.980215
N -1.349953 -1.288475 0.284403
N -3.381178 0.067301 0.327315
N -0.362853 1.949922 -0.892504
N 0.687562 -0.060336 -0.523500
N 5.206870 -0.441932 -0.024651
C -1.337329 1.053654 -0.412601
C -0.661829 -0.179476 -0.194964
C -2.744120 1.262187 -0.166149
C 0.825412 1.240796 -0.941260
C -2.752960 -1.191106 0.561318
C 4.022780 0.481223 0.029478
C 3.529800 0.658197 -1.406710
C -0.644150 -2.573936 0.502568
C -4.838917 0.119328 0.629694
C 4.773587 -1.870240 0.016595
C 6.155267 -0.155507 1.092156
H -0.546095 2.908821 -1.139872
H 4.334136 1.461368 0.453482
H 3.200307 0.103287 0.678106
H 3.119102 -0.289477 -1.812820
H 4.360668 0.958155 -2.082722
H -0.196985 -2.929697 -0.442656
H -1.354014 -3.339101 0.873204
H 0.162558 -2.445342 1.245514
H -5.231665 1.132066 0.417672
H -5.020127 -0.119297 1.691982
H -5.386456 -0.612967 0.011429
H 4.065246 -2.061519 -0.805557
H 4.295222 -2.181989 0.956727
H 5.652939 -2.511704 -0.155409
H 6.532264 0.874786 0.988470
H 7.026333 -0.825126 1.001172
H 5.735155 -0.274803 2.101349


%chk=000254319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254319

0 1
S 2.314861 2.122397 -1.774373
O -3.335140 2.281349 -0.134837
O -3.121927 -2.321112 0.914850
N -1.167084 -1.310785 0.098212
N -3.205487 -0.037942 0.386690
N -0.343924 1.988014 -0.933073
N 0.752071 -0.004300 -0.776874
N 4.903508 -0.533617 0.155634
C -1.273737 1.057110 -0.444636
C -0.566379 -0.149196 -0.358886
C -2.653117 1.212011 -0.078151
C 0.851262 1.310743 -1.119074
C -2.530973 -1.287108 0.491972
C 4.069109 0.673137 -0.029730
C 3.571678 0.718732 -1.487567
C -0.407839 -2.572979 0.174563
C -4.626530 -0.047230 0.804204
C 4.117271 -1.744816 0.467911
C 6.050869 -0.350938 1.064748
H -0.537182 2.974484 -1.105182
H 4.677996 1.571817 0.176585
H 3.195905 0.698731 0.663424
H 3.057318 -0.210539 -1.773933
H 4.391517 0.926151 -2.192993
H -0.054883 -2.865480 -0.828920
H -1.083322 -3.342106 0.576170
H 0.465817 -2.450226 0.837172
H -5.014022 0.972514 0.663912
H -4.709515 -0.350651 1.860669
H -5.196062 -0.765759 0.192534
H 3.267464 -1.836209 -0.229627
H 3.702980 -1.733677 1.507614
H 4.753174 -2.641838 0.359775
H 6.661323 0.507893 0.734335
H 6.691025 -1.251451 1.034814
H 5.753976 -0.179024 2.129869


