%chk=000246370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246370

0 1
S -1.189152 -2.798891 -0.073416
O -0.925301 1.283482 -2.681608
O -3.226324 1.823955 1.292216
O 4.612752 -0.058342 0.711136
N -1.795168 0.110531 0.559606
N -2.197909 1.868057 -0.832076
C -0.902485 -0.142042 -0.612335
C -1.282996 -1.459953 -1.291785
C 0.573585 -0.092851 -0.274533
C -1.288308 1.060170 -1.556038
C -2.489162 1.330478 0.474834
C 1.037278 -0.396000 1.019811
C 1.502303 0.212579 -1.280918
C 2.394815 -0.372161 1.312454
C 2.871838 0.242628 -1.014166
C -2.943963 -3.094470 0.350154
C 3.306831 -0.048117 0.285778
C -2.935647 -4.102424 1.478849
C 5.645113 0.259320 -0.254961
H -0.568758 -1.693575 -2.110917
H -2.283900 -1.411095 -1.758972
H -1.683654 -0.406661 1.425240
H -2.614788 2.727350 -1.179308
H 0.335781 -0.662207 1.812252
H 1.158333 0.437802 -2.297197
H 2.768869 -0.601245 2.308256
H 3.570772 0.487097 -1.807335
H -3.434784 -2.149445 0.647784
H -3.482357 -3.480893 -0.534902
H -2.453418 -5.047986 1.191131
H -2.413381 -3.729959 2.370992
H -3.960975 -4.350129 1.789394
H 6.554269 0.176344 0.355583
H 5.515618 1.279229 -0.628157
H 5.647872 -0.476780 -1.063844


%chk=000246370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246370

0 1
S -1.157167 -2.768585 0.135126
O -0.932089 1.378840 -2.565694
O -3.330368 1.919688 1.458670
O 4.767863 0.201542 0.661486
N -1.730976 0.301391 0.746060
N -2.215389 1.975745 -0.660134
C -0.904765 0.016575 -0.437302
C -1.326694 -1.331938 -1.093036
C 0.609885 0.072356 -0.158399
C -1.318544 1.194280 -1.387916
C -2.515041 1.439042 0.637971
C 1.116989 0.284399 1.148561
C 1.527778 -0.080388 -1.225434
C 2.502196 0.320503 1.387934
C 2.920355 -0.043208 -1.001440
C -2.965021 -3.373256 0.150937
C 3.410765 0.152194 0.314274
C -3.102657 -4.509570 1.173396
C 5.750045 0.035619 -0.413416
H -0.697782 -1.542719 -1.970541
H -2.383864 -1.291518 -1.407461
H -1.815175 -0.362616 1.515739
H -2.655766 2.828447 -1.006879
H 0.427499 0.431566 1.985280
H 1.158798 -0.196312 -2.250211
H 2.902163 0.478839 2.393865
H 3.602173 -0.159404 -1.848844
H -3.608116 -2.514677 0.411261
H -3.212740 -3.717925 -0.867272
H -2.441887 -5.357785 0.921095
H -2.849510 -4.166741 2.192276
H -4.143972 -4.880491 1.186440
H 6.730012 0.106300 0.080584
H 5.656119 0.836632 -1.172208
H 5.648482 -0.953030 -0.901763


