%chk=000289747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289747

0 1
S 3.353458 -0.084816 -0.037907
O 4.551240 0.547174 -0.536887
O 3.141370 -0.260887 1.375794
N 2.097090 0.911006 -0.688217
N -4.555871 -1.443299 -0.992295
C 0.720471 0.826493 -0.367732
C -2.033582 0.621318 0.139197
C 0.255221 0.003929 0.677705
C -0.201993 1.565137 -1.143943
C -1.113739 -0.096140 0.917441
C -1.565719 1.455095 -0.887941
C 3.101671 -1.608892 -0.837884
C -3.511888 0.499253 0.404575
C -4.094484 -0.583256 -0.373856
H 2.363852 1.705259 -1.287002
H 0.950282 -0.522358 1.339141
H 0.146735 2.215153 -1.942853
H -1.466470 -0.739254 1.725265
H -2.272526 2.020130 -1.496746
H 3.485532 -2.464103 -0.257727
H 2.043365 -1.849356 -1.028538
H 3.599277 -1.673219 -1.818667
H -4.036243 1.457522 0.169237
H -3.704649 0.327611 1.492038


%chk=000289747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289747

0 1
S 3.204252 0.238156 -0.040431
O 3.954425 1.594271 -0.555137
O 2.628947 0.111024 1.477086
N 1.718023 -0.309681 -1.325314
N -5.194796 2.225192 -0.735239
C 0.414675 -0.033506 -0.831664
C -2.241100 0.372419 0.108734
C -0.102034 -0.831536 0.229104
C -0.406720 0.983216 -1.396767
C -1.410857 -0.619942 0.693131
C -1.728438 1.165188 -0.946586
C 4.366158 -1.233532 -0.354245
C -3.655884 0.561794 0.666110
C -4.505109 1.480443 -0.109184
H 1.950171 0.297954 -2.139400
H 0.528800 -1.607143 0.671574
H -0.009092 1.619649 -2.197069
H -1.795111 -1.236794 1.514535
H -2.357631 1.934077 -1.407843
H 5.221125 -1.086273 0.320295
H 3.786847 -2.134812 -0.118222
H 4.654628 -1.188059 -1.412671
H -3.597888 0.944358 1.705248
H -4.170990 -0.416960 0.726153


