%chk=000274548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274548

0 1
S 2.571848 0.430828 -0.429348
O 2.841320 1.803087 -0.777191
O 3.058571 -0.682685 -1.206861
O -0.788267 -3.443944 0.363436
O -1.517707 3.616954 -0.293908
O -2.906959 -2.718229 0.426999
O -3.446968 2.499755 -0.067497
N 3.092918 0.155646 1.224561
N 4.408428 -0.435843 1.256058
C 0.849623 0.269044 -0.228252
C 0.039072 1.405785 -0.270157
C 0.287420 -0.995987 -0.045657
C -1.351454 1.276258 -0.115089
C -1.103860 -1.124551 0.110229
C -1.928318 0.010672 0.074621
C -1.736036 -2.445098 0.310225
C -2.242445 2.455188 -0.150169
H 0.477752 2.406895 -0.429656
H 0.917072 -1.899555 -0.027900
H -3.018882 -0.090604 0.193134
H 3.138134 1.028283 1.795746
H 4.386948 -1.307205 0.698958
H 4.586263 -0.738843 2.223307
H -1.196684 -4.345549 0.488883
H -2.100989 4.425900 -0.328171


%chk=000274548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274548

0 1
S 2.590116 0.629360 -0.117561
O 2.821210 2.053694 -0.917933
O 3.186423 -0.796002 -0.751883
O -0.846592 -3.481788 0.250956
O -1.787677 3.683966 -0.356784
O -3.037750 -2.711263 0.166336
O -3.706082 2.375407 -0.250294
N 3.837918 0.279712 1.926335
N 4.499881 -0.815971 1.523625
C 0.713103 0.365933 -0.078654
C -0.104307 1.500919 -0.176416
C 0.214792 -0.939735 0.027028
C -1.510424 1.309827 -0.154250
C -1.193172 -1.114290 0.048858
C -2.050328 0.007874 -0.037113
C -1.809450 -2.467911 0.155832
C -2.456395 2.459344 -0.255067
H 0.326864 2.499713 -0.294137
H 0.885414 -1.802887 0.056683
H -3.136127 -0.132630 -0.021376
H 4.411912 1.126785 1.699487
H 4.024118 -1.702498 1.702369
H 5.203493 -0.827677 0.772046
H -1.305902 -4.362095 0.307980
H -2.454239 4.418415 -0.429763


