%chk=000290467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290467

0 1
S -5.910003 1.297791 -1.069358
O 2.074917 0.713904 -0.930739
O 3.613201 -1.522100 1.478938
O 5.466624 -0.063486 0.246091
O 1.915846 -3.278063 0.932744
O 2.937091 2.505864 0.900026
O -0.546365 -2.409601 1.119671
N -0.329540 -0.741402 -0.487247
C 3.121857 -0.122067 -0.427487
C 2.530639 -0.968328 0.730441
C 4.335672 0.748387 -0.016719
C 1.624135 -2.103445 0.182935
C 4.045571 1.640389 1.207841
C 0.125019 -1.771709 0.327401
C -1.683397 -0.276523 -0.569558
C -1.929318 0.825860 -1.416293
C -2.731922 -0.881480 0.143996
C -3.228829 1.316942 -1.538991
C -4.028845 -0.383102 0.005536
C -4.268923 0.710650 -0.828558
C -6.247351 2.178551 0.475478
H 3.401312 -0.757873 -1.300675
H 1.986807 -0.317657 1.456641
H 4.658612 1.366427 -0.890208
H 1.883743 -2.389571 -0.865342
H 4.933081 2.226498 1.498623
H 3.696446 1.061698 2.085443
H 1.932017 1.497341 -0.306516
H 3.566362 -2.529014 1.477335
H 5.244484 -0.765547 0.928075
H 0.371203 -0.214604 -1.052945
H 1.235983 -3.405286 1.663919
H 3.249711 3.292862 0.402541
H -1.119686 1.293149 -1.973364
H -2.539280 -1.736953 0.800377
H -3.426372 2.170704 -2.191001
H -4.848062 -0.857683 0.550055
H -5.546716 3.005050 0.633301
H -6.205826 1.511925 1.342802
H -7.261698 2.592805 0.405390


%chk=000290467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290467

0 1
S -5.630649 2.269412 -0.907024
O 2.053513 0.633828 -1.032868
O 3.787000 -1.688661 1.327975
O 5.576452 -0.296268 -0.034803
O 1.761816 -3.208872 1.319569
O 3.117701 2.446083 0.513640
O -0.657711 -2.317714 1.330973
N -0.280579 -0.574485 -0.225343
C 3.134043 -0.251781 -0.537615
C 2.633290 -1.009786 0.719413
C 4.434182 0.569636 -0.301127
C 1.564193 -2.108873 0.381513
C 4.302014 1.604453 0.837639
C 0.086661 -1.649538 0.528887
C -1.567987 0.027707 -0.326478
C -1.695640 1.142453 -1.200069
C -2.705558 -0.426347 0.388505
C -2.932052 1.792496 -1.352359
C -3.944407 0.231117 0.229604
C -4.072192 1.342548 -0.635303
C -6.852192 1.324983 0.157938
H 3.346368 -0.979079 -1.341864
H 2.210208 -0.288630 1.450660
H 4.658578 1.102701 -1.242521
H 1.734837 -2.484657 -0.646984
H 5.219441 2.219474 0.871070
H 4.160444 1.098911 1.812561
H 2.183698 1.517305 -0.554863
H 3.417338 -2.541817 1.711386
H 5.243533 -1.007441 0.595547
H 0.509060 -0.088575 -0.724420
H 0.863880 -3.339202 1.764582
H 3.011693 3.196759 1.143576
H -0.825802 1.492168 -1.768959
H -2.612771 -1.283061 1.058994
H -3.013103 2.647700 -2.032340
H -4.804039 -0.141411 0.794947
H -6.564762 1.373481 1.219873
H -6.934773 0.279745 -0.178711
H -7.817524 1.834538 0.015400


