%chk=000268507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268507

0 1
S 3.465869 0.527603 -0.115490
O 1.278394 -1.485595 -0.540616
O 3.933963 0.491126 -1.485840
O 2.179681 1.141816 0.182916
O 0.739068 -2.145747 1.555169
O -5.488518 0.645548 -0.436937
O -4.354693 2.395610 -1.011451
N -4.441153 1.246347 -0.613179
C 3.451461 -1.138218 0.497663
C 4.693937 1.294393 0.894893
C 2.620122 -2.030867 -0.407256
C 4.797523 2.765584 0.519896
C -0.830281 -0.832399 0.225392
C 0.430382 -1.558820 0.545429
C -2.059682 -1.478490 0.429841
C -0.767896 0.484827 -0.244181
C -3.177628 0.522133 -0.319874
C -3.244621 -0.798221 0.153221
C -1.953414 1.172318 -0.519352
H 4.470266 -1.561042 0.590236
H 3.035248 -1.193610 1.530786
H 4.459075 1.207800 1.975094
H 5.687850 0.817344 0.779811
H 2.959487 -2.022840 -1.465606
H 2.551638 -3.064264 -0.020479
H 5.547283 3.280455 1.135706
H 5.097017 2.903792 -0.530506
H 3.843858 3.296399 0.666885
H -2.087807 -2.502660 0.808326
H 0.214718 0.975134 -0.384993
H -4.218728 -1.277039 0.301497
H -1.929422 2.204683 -0.887101


%chk=000268507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268507

0 1
S 3.572118 0.650479 -0.083203
O 1.305765 -1.433444 -0.571407
O 4.133974 0.404136 -1.602384
O 2.211866 1.526445 0.183337
O 0.345744 -2.861855 1.009534
O -5.638535 0.768401 -0.110839
O -4.389805 2.494389 -0.924615
N -4.512410 1.301146 -0.449809
C 3.363617 -1.135132 0.708385
C 4.998327 1.484541 0.956659
C 2.643190 -2.009152 -0.308292
C 5.089047 2.950033 0.544736
C -0.968636 -1.044265 0.027122
C 0.248291 -1.881529 0.232997
C -2.226692 -1.584192 0.402104
C -0.868650 0.276120 -0.486293
C -3.278147 0.486108 -0.281696
C -3.396523 -0.821028 0.242278
C -2.034835 1.050269 -0.641338
H 4.394343 -1.479844 0.894873
H 2.804022 -0.973009 1.641994
H 4.691567 1.335962 2.005344
H 5.886986 0.884302 0.703019
H 3.157979 -1.995239 -1.282514
H 2.545112 -3.040769 0.076830
H 5.869124 3.450740 1.147034
H 5.357811 3.050534 -0.520555
H 4.130686 3.468474 0.718954
H -2.269082 -2.596779 0.815072
H 0.115867 0.691746 -0.723588
H -4.382684 -1.207262 0.510988
H -1.996441 2.072771 -1.024828


