%chk=000274807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274807

0 1
S -1.165286 2.072045 -1.339111
O -1.223556 1.556021 3.053725
O 1.744790 0.573071 -1.060789
O 2.120995 2.792063 -0.748669
O 0.111796 -2.292401 0.222138
O -3.186954 0.967427 0.389031
N -0.271748 2.638738 1.114920
N -1.295405 -0.429234 0.434984
C 0.028438 1.719041 -0.020779
C -0.286489 0.493899 0.904516
C -0.760274 1.559421 1.961706
C -1.062420 3.826737 0.727855
C -1.967486 3.466977 -0.455999
C 1.411541 1.831875 -0.615920
C -0.966975 -1.792243 0.053413
C -2.672075 -0.085821 0.128946
C -2.236803 -2.339322 -0.523416
C -3.240851 -1.331461 -0.484693
C -2.499843 -3.591446 -1.036345
C -4.512191 -1.571816 -0.959486
C 3.097058 0.356639 -1.576835
C -3.804460 -3.840470 -1.526059
C -4.784957 -2.856176 -1.488894
C 3.894770 -0.325023 -0.502090
C 5.201768 0.095438 -0.220380
C 3.330389 -1.392112 0.212503
C 5.944356 -0.559170 0.766858
C 4.075275 -2.037620 1.202113
C 5.383215 -1.624616 1.478107
H 0.634730 -0.067061 1.214911
H -1.647280 4.188463 1.603245
H -0.339889 4.633664 0.452961
H -2.973986 3.135411 -0.123826
H -2.094504 4.306897 -1.159733
H 2.910048 -0.302269 -2.446923
H 3.527328 1.320067 -1.909482
H -1.733197 -4.367240 -1.066903
H -5.285528 -0.802707 -0.930755
H -4.034081 -4.825103 -1.937786
H -5.785388 -3.067059 -1.871619
H 5.639807 0.932302 -0.761879
H 2.304438 -1.709780 -0.001736
H 6.960250 -0.234145 0.984804
H 3.634660 -2.864102 1.757981
H 5.962873 -2.130495 2.247988


%chk=000274807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274807

0 1
S -0.976083 2.296882 -1.570511
O -1.596547 1.567034 2.911258
O 1.791192 0.669224 -1.193674
O 2.322163 2.677794 -0.106677
O 0.057400 -2.308066 0.067210
O -3.355177 0.939207 0.311337
N -0.386635 2.611548 1.072263
N -1.405693 -0.439670 0.291638
C 0.034430 1.731357 -0.032412
C -0.434968 0.480679 0.829152
C -0.964998 1.568939 1.846121
C -0.919351 3.927812 0.701910
C -1.820149 3.673326 -0.545143
C 1.506335 1.786636 -0.417576
C -1.080574 -1.794636 -0.050331
C -2.793610 -0.155264 0.071923
C -2.356242 -2.401519 -0.535535
C -3.378702 -1.424216 -0.460273
C -2.616325 -3.700254 -0.997956
C -4.696247 -1.713102 -0.844683
C 3.223809 0.472451 -1.602574
C -3.945868 -4.001864 -1.391441
C -4.969896 -3.023552 -1.315706
C 3.997697 -0.257853 -0.523349
C 5.248957 0.238338 -0.084826
C 3.485106 -1.456687 0.038311
C 5.993719 -0.462842 0.891241
C 4.225365 -2.149378 1.020775
C 5.483632 -1.659151 1.445123
H 0.418354 -0.114552 1.199363
H -1.504156 4.335731 1.543141
H -0.086853 4.610681 0.466016
H -2.810241 3.294184 -0.252222
H -1.900107 4.561935 -1.190102
H 3.124556 -0.124174 -2.524288
H 3.668448 1.456661 -1.829482
H -1.818945 -4.447990 -1.049338
H -5.479087 -0.951286 -0.779115
H -4.187791 -5.004886 -1.758367
H -5.987003 -3.286342 -1.625104
H 5.635657 1.178272 -0.496490
H 2.503393 -1.832168 -0.272691
H 6.961063 -0.071065 1.224859
H 3.819872 -3.070012 1.454952
H 6.057002 -2.200862 2.205870


