%chk=000257469.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257469

0 1
S 1.630960 0.630487 -0.087926
O 1.844821 -0.261268 -1.221889
O 2.230529 1.943781 -0.019624
O 4.140293 -0.756499 -0.423019
O -4.546262 -0.876719 -0.158495
O -2.923378 -2.362627 -0.560985
N 2.063910 -0.203352 1.361348
C -0.086822 0.819885 0.103860
C 2.522235 -1.602468 1.189541
C -0.946105 -0.244874 -0.163706
C -0.599841 2.053454 0.521630
C -2.331613 -0.075849 0.002289
C 3.957516 -1.698208 0.628037
C -1.979132 2.224375 0.680137
C -2.847833 1.161951 0.423075
C -3.215850 -1.224760 -0.272074
H 2.698167 0.314683 1.990682
H 1.812905 -2.143831 0.521636
H 2.464964 -2.113054 2.178198
H -0.559579 -1.212922 -0.511927
H 0.081640 2.892858 0.717629
H 4.183641 -2.718614 0.272843
H 4.717940 -1.392607 1.372202
H -2.375315 3.187678 1.002416
H -3.930091 1.281772 0.543972
H 3.584056 -0.994725 -1.225408
H -5.151556 -1.646048 -0.344440


%chk=000257469-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257469

0 1
S 1.638691 0.645861 -0.222757
O 1.778464 -0.487293 -1.410819
O 2.270869 2.139395 -0.333320
O 4.380023 -1.023288 -0.462059
O -4.699508 -0.885616 -0.165071
O -2.990321 -2.277508 -0.903234
N 2.266146 -0.079580 1.402814
C -0.212036 0.824562 0.088956
C 2.641042 -1.518073 1.282272
C -1.058753 -0.227271 -0.273263
C -0.656231 2.034229 0.649694
C -2.447911 -0.059005 -0.038900
C 4.067208 -1.788740 0.737260
C -2.044597 2.185274 0.869795
C -2.935976 1.143444 0.533314
C -3.353391 -1.181517 -0.417168
H 3.087832 0.528415 1.604857
H 1.889430 -2.007055 0.634345
H 2.531796 -1.953536 2.294890
H -0.684533 -1.141341 -0.745779
H 0.056839 2.832023 0.881430
H 4.173116 -2.883051 0.570583
H 4.825450 -1.479764 1.479505
H -2.425898 3.115731 1.301239
H -4.010972 1.251126 0.700603
H 3.613148 -1.062678 -1.105271
H -5.259728 -1.662243 -0.433915


