%chk=000253723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253723

0 1
S -2.326776 -3.142248 -1.827721
O 3.762063 -0.479626 0.285793
O 4.476752 1.559350 -2.111074
O 4.174215 2.756383 0.070223
O 2.568168 0.009692 3.154893
N 2.244191 -1.195227 -1.371281
N 0.953981 -3.058397 -1.785374
N 0.369030 0.446419 -0.972327
N -1.814096 -0.596241 -1.228531
C 3.303872 1.101380 -1.468371
C 3.466522 -0.405266 -1.110432
C 3.110967 1.810411 -0.095253
C 3.359454 0.737227 0.984591
C 2.137445 0.413958 1.853781
C 0.907598 -0.804425 -1.263444
C 2.205692 -2.600302 -1.676269
C 0.115395 -1.964947 -1.535252
C -1.316741 -1.895527 -1.525045
C -0.958930 0.492163 -0.963906
C -3.285901 -0.333319 -1.150041
C -3.660600 0.236061 0.194741
C -4.141660 1.549381 0.292737
C -3.544734 -0.555890 1.346446
C -4.503054 2.066665 1.540117
C -3.902693 -0.031296 2.590942
C -4.381374 1.279484 2.689648
H 2.495261 1.303451 -2.204581
H 4.337631 -0.892258 -1.615506
H 2.128902 2.317004 -0.012755
H 4.250535 0.984228 1.613814
H 1.511731 -0.376976 1.400861
H 1.520478 1.309398 2.063533
H 5.198405 1.730213 -1.439316
H 4.021701 3.542227 -0.505619
H 3.112302 -3.178312 -1.800348
H 3.022358 -0.861128 3.105211
H -1.439803 1.460362 -0.728136
H -3.863832 -1.282527 -1.326984
H -3.570035 0.341200 -1.990192
H -4.247600 2.166518 -0.597408
H -3.179230 -1.581544 1.269264
H -4.882148 3.085110 1.615749
H -3.810964 -0.647188 3.485615
H -4.661877 1.685260 3.660806


%chk=000253723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253723

0 1
S -2.612069 -2.955407 -2.027199
O 3.417911 -0.532339 0.585993
O 4.978288 0.817817 -1.887183
O 4.205562 2.869194 -0.391498
O 3.192001 0.341205 3.309940
N 2.115425 -1.350412 -1.259328
N 0.724475 -3.080489 -1.853597
N 0.412653 0.420964 -0.869361
N -1.833259 -0.399469 -1.273419
C 3.579575 0.723902 -1.488910
C 3.367919 -0.684593 -0.878400
C 3.300986 1.709659 -0.309132
C 3.663550 0.895810 0.947765
C 2.809829 1.190769 2.182418
C 0.812420 -0.853755 -1.209566
C 1.993953 -2.699896 -1.645771
C -0.036029 -1.930888 -1.582532
C -1.467397 -1.754070 -1.627419
C -0.911617 0.574425 -0.918928
C -3.280501 0.004043 -1.266581
C -3.808751 0.283541 0.130852
C -4.367160 1.545822 0.449834
C -3.768869 -0.728446 1.125583
C -4.879892 1.797650 1.743622
C -4.275708 -0.475298 2.417780
C -4.832372 0.788176 2.731325
H 2.918131 0.901978 -2.357279
H 4.193398 -1.340926 -1.205487
H 2.237289 2.003308 -0.309763
H 4.738802 1.019443 1.179732
H 1.737267 1.061258 1.923140
H 2.985272 2.226529 2.519980
H 5.296714 1.715617 -1.582384
H 3.737568 3.639129 -0.798842
H 2.865547 -3.341981 -1.756486
H 3.133310 -0.601566 3.007007
H -1.334932 1.545237 -0.648465
H -3.812491 -0.848880 -1.731236
H -3.391046 0.888687 -1.918400
H -4.410075 2.331085 -0.316032
H -3.351093 -1.711542 0.878421
H -5.312564 2.776301 1.979248
H -4.242882 -1.262407 3.179124
H -5.226537 0.981715 3.735034


