%chk=000240369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240369

0 1
S 0.498509 1.376067 1.387671
O -0.302318 2.560677 1.118779
O 1.429751 1.393014 2.474035
O -0.976466 -2.293857 0.348796
O 1.807205 -1.304910 1.400051
O 2.778918 -2.288287 -0.264757
N 1.493068 1.948963 -1.165819
N -0.553020 0.053968 1.558302
N 2.608386 0.068380 -1.776587
N 2.240571 -1.337732 0.253403
C 1.361446 1.063438 -0.113045
C 2.063225 -0.095319 -0.513505
C -1.699085 -0.099223 0.719007
C 2.257113 1.319548 -2.163822
C 0.973084 3.314709 -1.256195
C -1.960414 -1.360539 0.100024
C -2.612626 0.941446 0.523392
C -3.101318 -1.563916 -0.673998
C -3.752073 0.738962 -0.266983
C -3.996631 -0.500425 -0.855113
C -1.180497 -3.644317 -0.133113
H -0.197186 -0.838909 1.960050
H 2.522343 1.779962 -3.107298
H 1.730173 4.050053 -0.921511
H 0.672069 3.559123 -2.289303
H 0.072677 3.462952 -0.601382
H -2.437360 1.919105 0.988859
H -3.302352 -2.524853 -1.137873
H -4.452579 1.560168 -0.409410
H -4.889123 -0.651896 -1.461147
H -1.219598 -3.654571 -1.225895
H -2.077918 -4.077855 0.316507
H -0.272573 -4.145526 0.233380


%chk=000240369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240369

0 1
S 0.342965 1.611793 1.214026
O -0.705882 2.615454 0.436999
O 1.290503 2.234561 2.378984
O -0.940080 -2.132016 0.233499
O 1.647949 -1.182511 1.565664
O 2.374369 -2.512507 -0.148496
N 1.832786 1.862717 -1.296533
N -0.975911 0.040387 1.980621
N 2.753761 -0.180565 -1.722805
N 2.045571 -1.369812 0.339061
C 1.508161 1.051046 -0.212835
C 2.091361 -0.196656 -0.502083
C -2.018700 -0.187123 1.094701
C 2.586964 1.076266 -2.174221
C 1.520508 3.296505 -1.472901
C -2.069683 -1.331042 0.201177
C -3.110367 0.739787 1.077280
C -3.205010 -1.559251 -0.604707
C -4.223411 0.522008 0.251085
C -4.270951 -0.630132 -0.576536
C -0.899099 -3.359248 -0.581194
H -0.271104 -0.734026 2.003631
H 2.992634 1.466901 -3.104507
H 2.129015 3.903066 -0.781339
H 1.752109 3.578149 -2.511679
H 0.455362 3.467291 -1.251696
H -3.042706 1.607890 1.738270
H -3.262937 -2.433185 -1.259861
H -5.054732 1.232995 0.249249
H -5.146790 -0.807318 -1.210735
H -1.000363 -3.118059 -1.655520
H -1.694889 -4.058880 -0.266448
H 0.093999 -3.786084 -0.384651


