%chk=000269717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269717

0 1
S 0.000723 1.673456 0.087022
O -0.007121 2.324652 1.382801
O -0.042034 2.439801 -1.143481
N -1.368071 0.640886 0.058848
N -3.432131 -1.364377 -0.004263
C -1.666064 -0.168051 1.268399
C -1.700955 -0.054153 -1.210918
C -3.148725 -0.598521 1.255342
C -3.183250 -0.485802 -1.195743
C -4.843858 -1.852292 -0.006811
C 1.370739 0.613828 0.019779
C 1.916292 0.250170 -1.215283
C 1.949140 0.139211 1.201070
C 3.015508 -0.606546 -1.274807
C 3.048490 -0.717987 1.152003
C 3.587675 -1.100369 -0.089077
C 4.771793 -2.005875 -0.146703
H -1.474152 0.454890 2.173714
H -1.019666 -1.073689 1.324421
H -1.057616 -0.950057 -1.367806
H -1.533629 0.649362 -2.060362
H -3.343255 -1.265994 2.121286
H -3.797012 0.297227 1.373725
H -3.833384 0.416241 -1.213117
H -3.402982 -1.071199 -2.113479
H -5.014922 -2.447972 -0.917922
H -5.609757 -1.064179 0.040229
H -4.990008 -2.529301 0.850230
H 1.487804 0.648064 -2.142176
H 1.546472 0.449975 2.171802
H 3.434593 -0.885455 -2.239531
H 3.493249 -1.083606 2.075381
H 4.813986 -2.700082 0.704157
H 4.791642 -2.617200 -1.059688
H 5.706584 -1.422656 -0.131143


%chk=000269717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269717

0 1
S -0.007336 1.783546 0.099308
O 0.022907 2.482800 1.568684
O -0.014935 2.621759 -1.295399
N -1.597273 0.782585 0.071474
N -3.474194 -1.330072 0.010099
C -1.771757 -0.054899 1.285160
C -1.769686 0.016057 -1.188536
C -3.227918 -0.565124 1.255329
C -3.224708 -0.498568 -1.190935
C -4.802441 -1.972525 -0.009401
C 1.461454 0.589383 0.018037
C 1.978213 0.253143 -1.244452
C 1.993309 0.098355 1.222333
C 3.075201 -0.634886 -1.293561
C 3.089659 -0.788584 1.146263
C 3.644174 -1.167699 -0.105757
C 4.847222 -2.090851 -0.170578
H -1.602971 0.575426 2.174545
H -1.082314 -0.929207 1.300562
H -1.077206 -0.853399 -1.253739
H -1.602658 0.697242 -2.040151
H -3.393388 -1.231992 2.122079
H -3.913441 0.312830 1.351891
H -3.911857 0.381997 -1.243245
H -3.385248 -1.117959 -2.093149
H -4.902738 -2.590004 -0.919964
H -5.649715 -1.241898 0.008393
H -4.905966 -2.637496 0.866683
H 1.552610 0.696287 -2.150909
H 1.580611 0.424228 2.182883
H 3.499369 -0.910776 -2.265993
H 3.525184 -1.184325 2.071154
H 4.864018 -2.796795 0.677792
H 4.860907 -2.676471 -1.106092
H 5.789010 -1.509708 -0.132909


