%chk=000232572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232572

0 1
S 2.462690 -1.946761 -0.684207
S -2.463192 -1.946752 0.684420
N 1.572486 1.843899 0.075196
N -1.572443 1.843797 -0.074879
C 0.652865 2.887209 -0.413652
C -0.652934 2.887069 0.414255
C 2.497098 -0.339136 0.005303
C -2.497218 -0.339177 -0.005224
C 1.585272 0.679697 -0.496757
C -1.585640 0.679679 0.497236
C 3.447913 -0.273368 0.984897
C -3.447522 -0.273466 -0.985319
C 4.152104 -1.518499 1.181956
C -4.151639 -1.518598 -1.182643
C 3.734080 -2.516875 0.356101
C -3.734062 -2.516919 -0.356495
H 0.413163 2.816325 -1.498561
H 1.179025 3.860071 -0.264457
H -0.413224 2.815965 1.499147
H -1.179167 3.859926 0.265276
H 0.955983 0.373813 -1.352989
H -0.956757 0.373825 1.353777
H 3.664149 0.617893 1.564199
H -3.663444 0.617755 -1.564798
H 4.933441 -1.614339 1.924694
H -4.932595 -1.614479 -1.925777
H 4.088609 -3.531560 0.297985
H -4.088642 -3.531592 -0.298485


%chk=000232572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232572

0 1
S 2.947745 -1.645071 -1.319204
S -2.947668 -1.645473 1.318901
N 1.521910 1.857128 0.164823
N -1.521940 1.857041 -0.164484
C 0.690123 2.955380 -0.356645
C -0.690241 2.955251 0.357210
C 2.602669 -0.275190 -0.179836
C -2.602625 -0.275381 0.179777
C 1.800152 0.856903 -0.632963
C -1.800171 0.856670 0.633122
C 3.195894 -0.507142 1.061315
C -3.195815 -0.507143 -1.061427
C 3.919145 -1.745838 1.135529
C -3.919004 -1.745862 -1.135873
C 3.889220 -2.476796 -0.046535
C -3.889064 -2.477026 0.046062
H 0.514369 2.904465 -1.455582
H 1.195899 3.911074 -0.120263
H -0.514486 2.904128 1.456137
H -1.196092 3.910954 0.121022
H 1.443386 0.821181 -1.685533
H -1.443446 0.820785 1.685700
H 3.100041 0.210503 1.878630
H -3.099980 0.210650 -1.878614
H 4.444693 -2.088097 2.030218
H -4.444515 -2.087990 -2.030633
H 4.345071 -3.439705 -0.269664
H -4.344871 -3.439999 0.269012


