%chk=000274799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274799

0 1
S -1.275667 0.719315 1.670634
O -2.221112 0.165954 2.603840
O 0.133670 0.436935 1.872576
O -0.770129 2.122995 -2.589023
O -2.261957 -2.013955 -0.006659
O -4.050901 -0.612512 -0.009573
O 1.064947 -2.313048 -1.382367
O 1.061268 2.054636 0.160581
N -2.147305 1.515466 -0.708238
N 0.727463 -0.093900 -0.710116
C -1.754125 0.247623 -0.014441
C -0.654239 0.012117 -1.117209
C -2.366885 2.663190 0.205221
C -1.072075 1.419433 -1.682949
C -1.536949 2.456498 1.475092
C -2.861078 -0.780818 -0.013203
C 1.479881 -1.337572 -0.821029
C 1.472096 0.931463 0.012763
C 2.785550 -1.048693 -0.148102
C 2.780143 0.286135 0.346508
C -3.124514 -3.200945 0.043816
C 3.877353 -1.871781 0.030970
C 3.862327 0.800711 1.028160
C 4.991773 -1.344560 0.725641
C 4.983946 -0.042619 1.212687
C -3.731006 -3.454011 -1.318296
H -0.916845 -0.845303 -1.792896
H -3.459133 2.703987 0.437388
H -2.104054 3.610896 -0.316472
H -0.560021 2.994707 1.394480
H -2.030010 2.913467 2.354428
H -2.385934 -3.967033 0.347078
H -3.881796 -3.046002 0.832872
H 3.885769 -2.895954 -0.344550
H 3.856603 1.819261 1.418439
H 5.865636 -1.979967 0.880041
H 5.851029 0.343943 1.751349
H -4.267927 -4.410262 -1.345532
H -4.450350 -2.666364 -1.590126
H -2.964639 -3.481933 -2.104282


%chk=000274799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274799

0 1
S -1.420161 0.628787 1.825513
O -2.724046 0.003584 2.588099
O 0.066166 0.324455 2.423485
O -0.433910 2.579923 -2.349835
O -2.349347 -1.948363 0.055160
O -4.056123 -0.427112 -0.475888
O 1.148641 -2.225760 -1.631946
O 1.171972 2.070960 0.285816
N -1.982187 1.634328 -0.714185
N 0.828232 -0.038827 -0.744778
C -1.722191 0.287473 -0.272935
C -0.499216 0.184623 -1.258588
C -2.569610 2.633866 0.201867
C -0.857899 1.694858 -1.602079
C -1.761580 2.561705 1.515706
C -2.855425 -0.706009 -0.260885
C 1.569316 -1.250738 -0.968265
C 1.582021 0.918118 0.006553
C 2.873411 -1.041630 -0.271814
C 2.881276 0.253221 0.306225
C -3.340770 -3.063152 0.220502
C 3.970570 -1.906417 -0.145343
C 3.985263 0.723300 1.031709
C 5.092397 -1.439492 0.587138
C 5.099335 -0.145056 1.166620
C -3.642795 -3.712983 -1.131226
H -0.671546 -0.540319 -2.074332
H -3.636264 2.403488 0.356522
H -2.474651 3.631283 -0.258394
H -0.750755 2.982885 1.431237
H -2.311683 2.874446 2.413508
H -2.831236 -3.749449 0.913739
H -4.245812 -2.644206 0.692716
H 3.952987 -2.904070 -0.594656
H 3.977895 1.721559 1.479314
H 5.966472 -2.087426 0.710892
H 5.978419 0.185588 1.729688
H -4.297003 -4.591057 -0.977537
H -4.165092 -3.009296 -1.800810
H -2.714268 -4.055589 -1.619014


