%chk=000299063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299063

0 1
S 3.093751 0.429508 0.903987
S -3.058801 0.747214 -0.291139
O 3.421553 -0.285837 -1.653344
O -3.399598 -1.046227 1.665016
N 5.269536 -0.492437 -0.304310
N -5.246238 -0.601174 0.372928
C 1.378783 0.431844 0.495135
C -1.344852 0.547475 0.070478
C 0.510324 0.168205 1.559318
C -0.870295 0.237516 1.345813
C 0.904196 0.738553 -0.781007
C -0.476498 0.786846 -0.999547
C 3.955849 -0.188850 -0.571251
C -3.930368 -0.464153 0.745624
C 5.873581 -0.361272 1.037408
C 6.143065 -0.971832 -1.400865
C -5.845910 0.130055 -0.761968
C -6.127121 -1.516567 1.135439
H 0.889444 -0.091783 2.548677
H -1.562742 0.024576 2.168148
H 1.596496 0.915071 -1.612043
H -0.855856 1.007487 -1.998328
H 6.920398 -0.707230 1.031714
H 5.328923 -0.972153 1.782672
H 5.873849 0.692074 1.374980
H 5.574394 -1.022480 -2.351370
H 6.524075 -1.982834 -1.181486
H 6.993384 -0.286593 -1.550356
H -5.835410 1.221886 -0.585082
H -6.895957 -0.170917 -0.911500
H -5.305324 -0.081506 -1.704444
H -6.970554 -0.964893 1.581778
H -5.561066 -1.998554 1.958049
H -6.518212 -2.314218 0.482576


%chk=000299063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299063

0 1
S 3.217863 0.841528 0.923690
S -3.176816 1.131339 -0.129531
O 3.144287 -0.714869 -1.390914
O -3.126896 -1.295410 1.246567
N 5.186988 -0.697130 -0.251066
N -5.166140 -0.750754 0.239150
C 1.412788 0.826430 0.567335
C -1.372935 0.937367 0.176341
C 0.536940 0.567173 1.647415
C -0.860590 0.639235 1.458789
C 0.900576 1.137051 -0.712246
C -0.497244 1.174756 -0.908928
C 3.864737 -0.343256 -0.432361
C -3.840834 -0.527696 0.556113
C 6.028069 -0.271001 0.878995
C 5.849102 -1.505512 -1.295588
C -6.001974 0.140643 -0.580549
C -5.837975 -1.934018 0.814559
H 0.942283 0.310502 2.631206
H -1.538084 0.440479 2.291901
H 1.577869 1.321089 -1.548939
H -0.902743 1.387992 -1.902987
H 6.713006 -1.095454 1.146520
H 5.410417 -0.040994 1.761571
H 6.633537 0.620946 0.625496
H 5.125729 -1.709324 -2.098503
H 6.201141 -2.464982 -0.872097
H 6.716229 -0.959132 -1.712996
H -6.621576 0.810589 0.046916
H -6.673702 -0.472196 -1.208474
H -5.379700 0.756409 -1.248772
H -6.704747 -1.623332 1.428493
H -5.120331 -2.477863 1.445985
H -6.192473 -2.603804 0.008610


