%chk=000270778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270778

0 1
S 0.570100 -0.864616 -1.141151
O 0.073764 -1.400096 0.397153
O -0.103366 0.406501 -1.279041
O 0.402502 -1.919927 -2.091437
O -4.637476 0.369726 0.657663
O 7.140146 -0.929621 -0.178802
O 6.676594 0.999725 0.689986
N -2.364506 0.001684 0.527602
N 6.370386 -0.040521 0.136362
C 2.246686 -0.620226 -0.776954
C -1.116264 -2.106274 0.513125
C -2.349691 -1.412790 0.648104
C 3.175829 -1.604588 -1.128049
C 2.651762 0.553027 -0.134131
C -1.033745 -3.498000 0.611786
C -3.505331 -2.179214 0.890490
C 4.924450 -0.243237 -0.185000
C 4.529917 -1.420566 -0.832316
C 4.003272 0.749674 0.168444
C -2.197311 -4.230779 0.850028
C -3.520584 0.815105 0.474495
C -3.422651 -3.567999 0.987996
C -3.233879 2.261529 0.215811
C -2.305073 2.672695 -0.749661
C -3.966400 3.211764 0.943940
C -2.103687 4.037291 -0.976250
C -3.755247 4.573423 0.716399
C -2.824362 4.985975 -0.243547
H 2.852141 -2.520153 -1.641335
H 1.919970 1.326500 0.131301
H -0.068617 -3.990036 0.505950
H -1.445976 0.449084 0.375943
H -4.475734 -1.676521 0.999609
H 5.275160 -2.180009 -1.098747
H 4.342168 1.662315 0.673781
H -2.150079 -5.315322 0.927447
H -4.330623 -4.143529 1.174253
H -1.736958 1.935558 -1.331182
H -4.704500 2.879586 1.677457
H -1.385693 4.359019 -1.729208
H -4.320525 5.312668 1.281867
H -2.664169 6.048675 -0.423179


%chk=000270778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270778

0 1
S 1.083017 -0.254093 1.592946
O -1.315414 -1.055619 3.092635
O 0.711221 1.340701 1.527234
O -0.056098 -1.267314 0.330348
O -2.736781 0.208498 -1.585393
O 6.153870 -1.825736 -2.719401
O 5.976913 0.412261 -3.124167
N -2.133724 -0.002869 0.675052
N 5.616516 -0.669497 -2.521668
C 2.458140 -0.409999 0.304865
C -1.626056 -1.855770 2.146801
C -1.523499 -1.319889 0.683166
C 3.054355 -1.665812 0.076343
C 2.859082 0.760976 -0.361753
C -2.045091 -3.232471 2.363678
C -2.000199 -2.275752 -0.393674
C 4.507738 -0.578471 -1.531942
C 4.102636 -1.754275 -0.861742
C 3.904979 0.677998 -1.302227
C -2.435668 -4.022056 1.300649
C -2.555376 0.727641 -0.441464
C -2.415420 -3.541577 -0.077641
C -2.823987 2.184070 -0.176980
C -2.102299 2.926767 0.795816
C -3.803991 2.830334 -0.973835
C -2.386003 4.297733 0.982046
C -4.088574 4.196722 -0.776770
C -3.383715 4.932426 0.206689
H 2.706632 -2.560361 0.602064
H 2.347695 1.704825 -0.140865
H -2.059512 -3.593197 3.397010
H -2.072250 0.485094 1.576937
H -1.963353 -1.897713 -1.416605
H 4.600594 -2.701412 -1.083302
H 4.255839 1.553567 -1.854144
H -2.765805 -5.051588 1.485589
H -2.731948 -4.222412 -0.874547
H -1.283755 2.463541 1.361448
H -4.322678 2.246248 -1.741110
H -1.819347 4.871472 1.723371
H -4.853372 4.689238 -1.387073
H -3.602911 5.995273 0.358618


