%chk=000258223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258223

0 1
S 1.261170 -1.068326 -0.173909
O -6.794581 0.474951 0.262997
O 5.160597 -1.863233 -0.072244
O 3.026272 -2.180662 -0.347066
N -3.143586 0.093299 -0.308360
N -0.301907 -0.277093 -0.075683
N 4.011598 -1.465552 -0.054787
C -2.204631 0.734203 -1.299323
C -1.190772 -0.907672 0.937497
C -2.475984 -0.038163 1.029722
C -0.932476 -0.154030 -1.414276
C -4.430463 0.843735 -0.158098
C -2.862458 0.825062 -2.681983
C -1.542986 -2.375093 0.668391
C -5.531832 -0.193531 0.128682
C 2.326994 0.248444 0.299721
C 3.689377 -0.100725 0.314375
C 1.940671 1.550981 0.645657
C 4.680322 0.839244 0.672628
C 2.916298 2.475229 0.998054
C 4.284977 2.122865 1.012327
H -1.898648 1.759796 -0.965921
H -0.658336 -0.838261 1.925602
H -3.191631 -0.527803 1.724711
H -2.212931 0.947064 1.473279
H -1.206686 -1.138169 -1.856384
H -0.213308 0.329657 -2.110481
H -4.677694 1.395952 -1.090931
H -4.415718 1.609894 0.646247
H -3.715102 1.515117 -2.680870
H -2.153968 1.179054 -3.438044
H -3.240753 -0.153037 -3.008125
H -2.138412 -2.479888 -0.249076
H -0.651692 -3.003295 0.564473
H -2.141895 -2.794507 1.483322
H -5.405657 -0.683708 1.111264
H -5.592051 -0.962205 -0.660384
H -7.089374 0.832366 -0.595045
H 0.880274 1.822344 0.634273
H 5.731206 0.537612 0.674861
H 2.628713 3.492922 1.269984
H 5.027066 2.869362 1.293125


%chk=000258223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258223

0 1
S 1.286136 -1.324428 -0.329496
O -6.763716 0.675736 0.597285
O 5.722949 -1.491957 0.119223
O 3.669329 -2.343809 -0.404692
N -3.112798 0.169269 -0.343825
N -0.318677 -0.434497 -0.207952
N 4.441800 -1.376394 0.005640
C -2.191992 0.710045 -1.389773
C -1.225574 -0.975439 0.854476
C -2.401566 0.024365 0.952424
C -0.981541 -0.250886 -1.525643
C -4.398458 0.891678 -0.169568
C -2.866804 0.844652 -2.769819
C -1.709392 -2.428703 0.633512
C -5.517241 -0.055738 0.319017
C 2.385484 0.046598 0.239647
C 3.797893 -0.106266 0.348850
C 1.833564 1.304154 0.588278
C 4.632218 0.952660 0.790180
C 2.656096 2.358212 1.025800
C 4.061860 2.187978 1.129990
H -1.788907 1.709220 -1.076484
H -0.657580 -0.924768 1.803503
H -3.112325 -0.339368 1.715437
H -2.002276 1.009948 1.302489
H -1.339308 -1.206340 -1.969284
H -0.245097 0.194122 -2.217465
H -4.710929 1.318822 -1.138706
H -4.314223 1.743136 0.547836
H -3.576167 1.688751 -2.816936
H -2.100188 1.024873 -3.545203
H -3.406989 -0.085205 -3.024512
H -2.385053 -2.493839 -0.235828
H -0.851303 -3.108215 0.483072
H -2.265300 -2.781491 1.521993
H -5.257060 -0.518480 1.284843
H -5.669618 -0.863739 -0.425404
H -7.120251 1.042356 -0.250980
H 0.746243 1.408019 0.496753
H 5.708245 0.768469 0.852067
H 2.201203 3.319858 1.287999
H 4.697313 3.010845 1.471457


