%chk=000205697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205697

0 1
S 3.242055 0.133482 0.727538
O 3.506475 1.399732 1.391936
O 3.539958 -1.113045 1.415666
O -2.973891 -0.178468 -1.930904
N -3.495018 0.248517 0.255426
C 4.094357 0.095898 -0.840287
C 1.547377 0.102884 0.292441
C 5.587288 -0.027098 -0.557362
C 3.765842 1.351322 -1.636043
C 0.914917 -1.117418 0.048498
C 0.829934 1.298650 0.222695
C -1.152078 0.056901 -0.380201
C -4.972622 0.243962 0.036832
C -0.440561 -1.145101 -0.296649
C -0.526556 1.281041 -0.118027
C -2.603389 0.025619 -0.787688
C -5.544001 1.612575 0.420555
C -5.603972 -0.881475 0.862239
H 3.774863 -0.800527 -1.429998
H 6.162660 -0.103921 -1.489084
H 5.980263 0.844637 -0.013360
H 5.819820 -0.922986 0.039186
H 4.364204 1.398908 -2.557193
H 3.993607 2.269081 -1.071254
H 2.713361 1.391604 -1.942880
H 1.470389 -2.057248 0.140591
H 1.323945 2.251359 0.448071
H -5.155509 0.054168 -1.059337
H -0.937166 -2.093720 -0.504471
H -1.088295 2.212700 -0.183627
H -3.169568 0.404124 1.203695
H -6.622820 1.651635 0.227949
H -5.395656 1.847974 1.479720
H -5.080925 2.417044 -0.164379
H -5.182162 -1.858360 0.594272
H -6.684686 -0.935608 0.684871
H -5.459039 -0.745245 1.939164


%chk=000205697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205697

0 1
S 3.342370 -0.043238 0.714947
O 3.543373 1.272608 1.676225
O 3.811766 -1.543241 1.184424
O -3.136171 -1.300414 -1.333784
N -3.578326 0.439748 0.146541
C 4.266431 0.330309 -1.021210
C 1.491893 -0.134674 0.306018
C 5.742091 0.030189 -0.764183
C 3.928927 1.764542 -1.415386
C 0.961119 -1.353778 -0.149609
C 0.714733 1.011931 0.532574
C -1.247584 -0.277397 -0.196048
C -5.045440 0.406904 -0.070856
C -0.423328 -1.411891 -0.413225
C -0.671604 0.932171 0.274319
C -2.720387 -0.423539 -0.509623
C -5.632663 1.806844 0.194516
C -5.709662 -0.686214 0.799757
H 3.790425 -0.426904 -1.669443
H 6.294941 0.092350 -1.720413
H 6.179501 0.762665 -0.063134
H 5.876597 -0.982875 -0.347551
H 4.487865 2.026963 -2.333450
H 4.229782 2.465421 -0.616359
H 2.853306 1.901700 -1.623603
H 1.605059 -2.232339 -0.261899
H 1.184797 1.922128 0.920244
H -5.185517 0.134042 -1.132790
H -0.891700 -2.326456 -0.790127
H -1.286562 1.828890 0.411969
H -3.223551 1.026303 0.904499
H -6.719895 1.803893 0.003507
H -5.482625 2.111266 1.249136
H -5.169142 2.566363 -0.459883
H -5.258088 -1.669562 0.585912
H -6.791206 -0.747018 0.580069
H -5.588120 -0.464092 1.876522


