%chk=000278169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278169

0 1
S 1.320460 -1.125585 -1.368338
O 5.282589 1.294956 -0.408897
O -6.367985 0.815100 -0.590208
O -5.631880 -0.324624 1.189538
N 3.075306 1.366485 0.385802
N 4.244048 -0.614783 0.492062
C 2.039408 0.363170 0.742946
C 2.844494 -0.997884 0.827564
C 0.897648 0.283034 -0.285815
C 2.252331 -2.044342 -0.111830
C -0.462418 0.065196 0.371082
C 4.311740 0.742476 0.055919
C -1.604906 0.055784 -0.653864
C -2.940605 -0.080277 0.001607
C -4.068851 0.414026 -0.526745
C -5.359746 0.230493 0.147346
H 1.642742 0.628928 1.756408
H 2.843162 -1.375158 1.882637
H 0.867427 1.192965 -0.932825
H 3.016417 -2.666734 -0.614529
H 1.586028 -2.746312 0.423359
H -0.468579 -0.881719 0.950093
H -0.645679 0.871785 1.114499
H 2.804600 2.230270 -0.069726
H 4.844145 -1.301394 0.044455
H -1.474464 -0.795811 -1.366034
H -1.560380 0.966504 -1.288359
H -2.960444 -0.633098 0.950358
H -4.107659 0.969775 -1.467002
H -7.259450 0.709775 -0.161803


%chk=000278169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278169

0 1
S 1.463286 -1.135387 -1.562864
O 5.499842 1.189300 -0.161283
O -6.348947 1.047668 -0.063887
O -5.546986 -0.847445 1.025115
N 3.147449 1.324484 0.196299
N 4.153599 -0.628073 0.587136
C 2.034997 0.471059 0.615752
C 2.750324 -0.926993 0.883071
C 0.915186 0.315213 -0.458520
C 2.132906 -2.016461 -0.032237
C -0.478275 0.093454 0.168984
C 4.393569 0.684888 0.163584
C -1.611898 -0.006545 -0.884188
C -2.949609 -0.277373 -0.250221
C -4.068916 0.482304 -0.414733
C -5.335225 0.125150 0.258309
H 1.572725 0.852164 1.549370
H 2.624666 -1.232369 1.940819
H 0.900780 1.201030 -1.119581
H 2.888317 -2.744986 -0.366841
H 1.312055 -2.550040 0.476554
H -0.470744 -0.824631 0.790256
H -0.694740 0.939013 0.854688
H 3.057814 2.306156 -0.050625
H 4.910997 -1.302884 0.648780
H -1.350785 -0.839291 -1.571838
H -1.648447 0.918599 -1.490999
H -3.027700 -1.162905 0.400494
H -4.080067 1.378500 -1.043634
H -7.186674 0.779401 0.401941


