%chk=000289104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289104

0 1
S 0.583580 -3.865632 -0.022791
S -1.595677 -2.947982 -1.680497
O 4.079090 2.411890 -1.162465
O -4.530292 2.434577 -0.519488
N 1.428888 -1.709308 1.540901
N -0.851317 -1.639231 0.514797
C -0.016116 -1.474743 1.754213
C 1.736458 -3.101359 1.203939
C 2.084018 -0.691604 0.730662
C -1.781757 -0.563560 0.211769
C -0.685704 -2.673221 -0.344004
C 2.649326 0.383626 1.451754
C 2.190083 -0.741405 -0.665345
C -1.282087 0.676260 -0.207552
C -3.167432 -0.786252 0.350972
C 3.307200 1.402216 0.778576
C 2.855484 0.275450 -1.356423
C 3.405526 1.337407 -0.629342
C -2.165328 1.728027 -0.464596
C -4.052137 0.250871 0.094586
C -3.539799 1.503845 -0.311795
C 4.268755 2.447792 -2.598355
C -4.140238 3.749287 -0.985974
H -0.160669 -0.438677 2.150899
H -0.388317 -2.197756 2.524924
H 2.766204 -3.201512 0.795311
H 1.676684 -3.713662 2.133002
H 2.571055 0.404510 2.540262
H 1.759109 -1.569949 -1.232989
H -0.207384 0.822627 -0.338658
H -3.538520 -1.769935 0.646100
H 3.753436 2.242626 1.306950
H 2.933076 0.224671 -2.438508
H -1.777999 2.689018 -0.786692
H -5.128967 0.118127 0.185974
H 3.302691 2.495086 -3.108829
H 4.863201 1.589753 -2.925319
H 4.827855 3.384364 -2.725777
H -5.113186 4.251006 -1.075457
H -3.647174 3.676608 -1.959700
H -3.510417 4.245246 -0.242335


%chk=000289104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289104

0 1
S 0.609655 -3.860165 -0.267387
S -1.703635 -2.851342 -1.897149
O 4.207713 2.449869 -1.352063
O -4.821969 2.446012 -0.199838
N 1.404217 -1.670041 1.384319
N -0.860063 -1.576881 0.381797
C -0.019567 -1.452939 1.632585
C 1.706546 -3.060910 1.182290
C 2.113193 -0.659521 0.631925
C -1.864368 -0.541329 0.184479
C -0.729554 -2.613843 -0.522826
C 2.217282 0.650363 1.174591
C 2.727615 -0.934470 -0.612283
C -1.463131 0.755865 -0.197043
C -3.233046 -0.815628 0.428065
C 2.909875 1.658767 0.485642
C 3.447772 0.068800 -1.300994
C 3.534078 1.372331 -0.756426
C -2.418083 1.788552 -0.335069
C -4.190130 0.202572 0.291192
C -3.785793 1.508401 -0.091534
C 4.865904 2.204480 -2.637703
C -4.467048 3.802529 -0.625033
H -0.205898 -0.443962 2.025941
H -0.362803 -2.198956 2.374637
H 2.752459 -3.213493 0.883001
H 1.460943 -3.652847 2.076407
H 1.776464 0.869913 2.153471
H 2.621204 -1.924532 -1.068933
H -0.405179 0.956740 -0.399974
H -3.540055 -1.829051 0.703325
H 3.001172 2.667857 0.898675
H 3.910398 -0.176230 -2.261583
H -2.087426 2.785998 -0.638277
H -5.253183 0.012844 0.465878
H 4.134395 1.906367 -3.413872
H 5.648699 1.426216 -2.547232
H 5.327554 3.164148 -2.912170
H -5.418863 4.352619 -0.652429
H -4.007596 3.800140 -1.632468
H -3.778548 4.283859 0.096767


