%chk=000257096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257096

0 1
S 1.238650 0.975105 0.415161
O -4.936447 0.126485 -0.417914
O 1.418806 1.636464 1.693742
O 0.978825 1.787934 -0.764469
O -3.517531 -1.424808 0.407303
N -0.054228 -0.157304 0.635121
C -2.693674 0.802122 -0.323177
C -2.087358 1.290942 1.004306
C -1.607209 0.307859 -1.292405
C -1.104724 0.267446 1.601334
C -0.658601 -0.696365 -0.614012
C -3.683892 -0.318168 -0.047214
C 2.585008 -0.060578 0.076583
C 3.216858 0.014332 -1.169213
C 3.047963 -0.951618 1.048564
C 4.311537 -0.808671 -1.446453
C 4.143394 -1.776889 0.771984
C -6.046476 -0.790799 -0.236075
C 4.773312 -1.704276 -0.474630
H -3.245159 1.654753 -0.802988
H -2.885315 1.516662 1.737276
H -1.570607 2.257626 0.824568
H -1.022423 1.188620 -1.653205
H -2.060603 -0.143119 -2.193487
H -0.617192 0.682473 2.514389
H -1.659553 -0.650451 1.916647
H -1.224303 -1.622748 -0.337956
H 0.144529 -1.010892 -1.312644
H 2.856128 0.721784 -1.925950
H 2.560078 -1.007448 2.026478
H 4.805847 -0.750506 -2.414875
H 4.505118 -2.472106 1.528041
H -5.893267 -1.677057 -0.859236
H -6.905491 -0.199060 -0.568605
H -6.124660 -1.069717 0.819285
H 5.628361 -2.346326 -0.690075


%chk=000257096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257096

0 1
S 1.241864 1.015810 0.454511
O -5.066582 0.239847 -0.086678
O 1.348517 1.616763 1.968024
O 1.135925 2.028484 -0.834401
O -3.589308 -1.544050 -0.293369
N -0.161421 -0.295628 0.543903
C -2.769217 0.800947 -0.509000
C -2.177228 1.244558 0.867451
C -1.623725 0.374656 -1.464322
C -1.233237 0.179072 1.468625
C -0.655771 -0.650091 -0.821541
C -3.796912 -0.305672 -0.302604
C 2.714324 -0.120669 0.126793
C 3.319871 -0.049260 -1.137143
C 3.164298 -0.947065 1.169403
C 4.443906 -0.876347 -1.372048
C 4.288817 -1.765067 0.914823
C -6.154158 -0.735228 0.176462
C 4.921836 -1.731217 -0.351563
H -3.311678 1.661793 -0.938532
H -2.990404 1.468989 1.582269
H -1.610397 2.182218 0.710139
H -1.053326 1.278668 -1.744854
H -2.038291 -0.066441 -2.390148
H -0.740176 0.568066 2.376498
H -1.789840 -0.737748 1.746327
H -1.171441 -1.619830 -0.689431
H 0.218832 -0.818865 -1.475640
H 2.933810 0.643252 -1.892640
H 2.661961 -0.945355 2.141317
H 4.943933 -0.847402 -2.345724
H 4.668709 -2.423748 1.702693
H -6.267681 -1.419613 -0.680817
H -7.053680 -0.119832 0.315748
H -5.929697 -1.324537 1.081411
H 5.793267 -2.367761 -0.539743


