%chk=000267958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267958

0 1
S 3.940778 -1.270945 -0.409503
O 2.252152 0.136721 -1.599587
O -4.152036 -2.623966 0.602334
O -4.519932 -0.973499 1.950561
O 3.838440 1.423816 -0.569954
N 0.371196 1.444552 -1.051109
N 0.311668 2.575182 -0.259271
N -3.897224 -1.517954 1.051620
C -0.618206 0.517907 -0.679365
C -1.359656 1.145543 0.383966
C -0.942930 -0.767725 -1.161098
C -2.444625 0.482322 0.961583
C 1.455504 1.270874 -2.023903
C -0.716255 2.431759 0.589510
C -2.759121 -0.784844 0.469781
C -2.016614 -1.407045 -0.577145
C 3.375302 0.354026 -0.835649
C 5.490029 -0.856285 0.476835
C 5.752137 -2.004892 1.422104
H -0.351989 -1.233580 -1.947884
H 1.058789 0.922069 -3.003543
H 2.079069 2.192996 -2.097558
H -3.028212 0.936547 1.769939
H -1.000118 3.185974 1.310242
H -2.320455 -2.409832 -0.903744
H 6.306924 -0.725792 -0.258986
H 5.381047 0.109699 1.012622
H 4.949380 -2.132622 2.163573
H 5.874670 -2.965707 0.902465
H 6.679890 -1.834998 1.990463


%chk=000267958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267958

0 1
S 4.243905 -1.461889 -0.041701
O 2.252560 -0.268908 -1.262204
O -4.990229 -2.205741 0.127236
O -5.187270 -0.522494 1.653956
O 4.021265 1.197198 -0.738508
N 0.339423 1.140346 -0.826645
N 0.430740 2.246054 0.051610
N -4.555033 -1.137117 0.709164
C -0.821669 0.403765 -0.610750
C -1.529718 1.078680 0.443825
C -1.315138 -0.774319 -1.222818
C -2.772206 0.578848 0.892354
C 1.416802 0.874834 -1.742393
C -0.692723 2.202492 0.798915
C -3.254257 -0.583952 0.265227
C -2.549345 -1.262777 -0.774651
C 3.511414 0.061179 -0.725366
C 5.902676 -0.712494 0.529462
C 6.677175 -1.774612 1.318558
H -0.753222 -1.299069 -2.000097
H 1.029526 0.535396 -2.714590
H 2.036731 1.780675 -1.827667
H -3.352782 1.051312 1.688565
H -0.863708 2.968956 1.552874
H -2.992016 -2.167419 -1.198981
H 6.439449 -0.385748 -0.374730
H 5.658550 0.171863 1.138140
H 6.120412 -2.101087 2.214264
H 6.897504 -2.664154 0.702368
H 7.640785 -1.349519 1.653884


