%chk=000250608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250608

0 1
S 0.469024 1.716849 0.726398
O -0.124902 1.207698 1.938649
O 0.764900 3.129438 0.595594
O -4.062604 0.963452 -0.553600
N -0.574894 1.291217 -0.627339
N -1.908112 1.673773 -0.392143
C 1.859191 0.798518 0.296945
C 3.057423 1.450684 -0.020626
C 1.803654 -0.600547 0.287584
C 4.140421 -0.693455 -0.361284
C 4.192419 0.712824 -0.349958
C 2.935908 -1.344851 -0.042875
C -2.899142 0.638432 -0.409552
C -2.448682 -0.759784 -0.131051
C -2.301982 3.023770 -0.881762
C 5.350163 -1.485925 -0.724319
C -1.876665 -1.091886 1.102920
C -2.658208 -1.742230 -1.108556
C -1.509936 -2.417169 1.356409
C -2.283589 -3.063156 -0.848723
C -1.711808 -3.400773 0.383198
H -0.243166 1.549629 -1.575043
H 3.103586 2.547142 -0.007965
H 0.869009 -1.118153 0.538284
H 5.120947 1.225557 -0.595000
H 2.885241 -2.432345 -0.050970
H -2.252805 3.123693 -1.975756
H -1.659548 3.792058 -0.413587
H -3.348036 3.220857 -0.570661
H 6.286054 -0.974267 -0.457899
H 5.374145 -2.468984 -0.232647
H 5.383908 -1.670286 -1.810060
H -1.708573 -0.315133 1.862169
H -3.119228 -1.478541 -2.060041
H -1.074121 -2.680262 2.319265
H -2.445272 -3.830803 -1.603176
H -1.429820 -4.432739 0.585881


%chk=000250608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250608

0 1
S 0.603354 1.799952 0.556701
O -0.100248 1.293314 1.952150
O 1.011498 3.382595 0.344470
O -4.307140 0.973550 -0.388761
N -0.828222 1.235728 -1.060754
N -2.100073 1.607703 -0.701561
C 2.180127 0.801948 0.275024
C 3.256884 1.456672 -0.344456
C 2.234239 -0.538186 0.694978
C 4.551250 -0.635026 -0.150178
C 4.447184 0.723029 -0.548672
C 3.433404 -1.248821 0.478270
C -3.101051 0.603033 -0.434665
C -2.691079 -0.827219 -0.291337
C -2.482578 3.042652 -0.647544
C 5.824978 -1.423517 -0.392401
C -1.668647 -1.242324 0.598693
C -3.464966 -1.795501 -0.983344
C -1.411796 -2.619897 0.770086
C -3.184158 -3.168538 -0.827258
C -2.154930 -3.584145 0.050341
H -0.441088 2.002340 -1.664332
H 3.171860 2.512026 -0.624001
H 1.379842 -1.005778 1.192880
H 5.305272 1.215185 -1.020310
H 3.503222 -2.293594 0.802865
H -2.292100 3.518951 -1.626805
H -1.881725 3.548073 0.128511
H -3.553001 3.108953 -0.409993
H 6.663856 -0.765000 -0.673847
H 6.123585 -1.992997 0.506095
H 5.686435 -2.156109 -1.210448
H -1.120448 -0.496289 1.186512
H -4.280843 -1.462471 -1.633463
H -0.640374 -2.943055 1.478563
H -3.772466 -3.911465 -1.376434
H -1.945156 -4.651467 0.183126


