%chk=000209330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209330

0 1
S 4.339471 0.457116 0.339206
O 5.240500 1.430298 -0.720393
O 5.243252 -0.558351 0.782981
O 3.739058 1.386197 1.254334
N -1.211116 0.052404 0.228783
N 2.261418 -0.957314 -0.154938
N -0.590285 1.077499 0.883677
C 0.984402 -0.354887 0.045065
C 3.214135 -0.102429 -0.909837
C -0.277906 -0.847191 -0.313495
C -2.645697 -0.027170 0.137673
C 0.743085 0.852420 0.795714
C -3.247387 -1.230735 -0.271232
C -3.428993 1.097139 0.457705
C -4.639472 -1.295546 -0.366805
C -4.817916 1.008001 0.358442
C -5.425988 -0.182340 -0.055465
H 2.740143 0.754477 -1.445247
H 3.741264 -0.664421 -1.712687
H -0.547018 -1.722658 -0.870268
H 2.172899 -1.877011 -0.605264
H 1.489810 1.496884 1.255427
H -2.648268 -2.108788 -0.502745
H -2.953565 2.025337 0.786784
H -5.112954 -2.225018 -0.683649
H -5.430934 1.875265 0.606550
H -6.510442 -0.242135 -0.131777
H 5.899105 2.017557 -0.334240


%chk=000209330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209330

0 1
S 4.213946 0.643471 0.716716
O 5.895289 0.782021 -0.166711
O 4.262951 -0.599496 1.766300
O 3.834970 2.118331 1.308460
N -1.267619 0.073660 -0.107573
N 2.141141 -0.747094 -0.975488
N -0.654079 1.266531 0.289994
C 0.900264 -0.204063 -0.559357
C 3.244137 0.021190 -1.220883
C -0.354083 -0.830267 -0.625764
C -2.686429 -0.076658 0.053475
C 0.665344 1.088491 0.019040
C -3.323631 -1.295352 -0.283580
C -3.438899 1.012121 0.556116
C -4.719510 -1.418490 -0.118969
C -4.832545 0.873492 0.716283
C -5.481428 -0.337705 0.380145
H 3.074158 1.041272 -1.579782
H 4.136799 -0.492332 -1.592069
H -0.633791 -1.808033 -1.006432
H 2.276786 -1.753085 -0.846163
H 1.382722 1.865980 0.284053
H -2.753328 -2.148200 -0.664872
H -2.921350 1.938887 0.813472
H -5.209427 -2.362774 -0.379375
H -5.412508 1.716624 1.106328
H -6.564211 -0.438890 0.506951
H 6.544932 1.204968 0.463985


