%chk=000257158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257158

0 1
S -3.021793 0.759531 -0.020187
O 1.237485 0.923549 -2.424208
O 1.257871 0.971472 2.390819
O 2.730122 -2.633837 0.012249
N 1.963973 -0.832008 -1.204340
N 1.971774 -0.809292 1.200212
N -5.300904 -0.582232 0.144527
N -3.231251 -1.882733 0.069104
C 1.072390 1.219733 -0.018625
C -0.451258 1.503351 -0.015918
C 1.871425 2.528397 -0.034412
C 1.410443 0.473447 -1.315929
C 1.420373 0.499022 1.290529
C -1.278195 0.228685 0.000847
C 2.257431 -1.520053 0.003877
C -3.912978 -0.793711 0.045236
H -0.694570 2.121441 -0.910861
H -0.689014 2.139508 0.868001
H 1.637001 3.129105 -0.926611
H 1.643417 3.146325 0.847743
H 2.954939 2.353130 -0.036505
H -1.083491 -0.427080 -0.872559
H -1.095736 -0.394330 0.901395
H 2.174741 -1.337562 -2.081893
H 2.186454 -1.298592 2.086137
H -5.914055 -1.336022 -0.132740
H -5.678510 0.331068 -0.068056
H -3.682783 -2.789914 0.120871


%chk=000257158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257158

0 1
S -3.014288 0.113613 -1.355250
O 1.883970 1.432656 -2.243421
O 0.562932 0.405326 2.322646
O 2.784947 -2.702272 -0.323582
N 2.289849 -0.615038 -1.252879
N 1.617885 -1.129276 0.954606
N -4.972439 -0.317088 0.439858
N -2.772690 -1.159736 1.068098
C 0.937936 1.099888 -0.002203
C -0.580793 1.223709 -0.422238
C 1.433573 2.498502 0.466043
C 1.738861 0.680196 -1.245416
C 1.019325 0.125248 1.186382
C -1.162348 -0.053274 -1.051777
C 2.262120 -1.566034 -0.214521
C -3.612701 -0.555568 0.280343
H -0.656027 2.069945 -1.128473
H -1.146548 1.474860 0.492513
H 1.357860 3.211303 -0.370794
H 0.813191 2.840835 1.309835
H 2.485533 2.463065 0.800885
H -0.724043 -0.283954 -2.036628
H -1.084784 -0.920456 -0.371012
H 2.788514 -0.903234 -2.101527
H 1.608487 -1.797160 1.732597
H -5.471717 -0.702803 1.238921
H -5.491465 0.245493 -0.232546
H -3.139837 -1.488349 1.978246


