%chk=000194475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194475

0 1
S 0.182144 1.035871 -0.568053
S 2.703590 -0.668264 0.249863
O -4.360495 1.410625 0.955096
O -2.831641 -1.613851 1.364270
O 1.635687 -3.313234 0.472071
O -0.505880 -4.014331 -0.133331
N -1.274574 -1.235162 -0.482841
N 5.410278 2.468355 -0.313113
C -2.770620 0.302582 -0.403320
C -1.418746 0.072416 -1.147696
C -2.410641 -1.004704 0.389682
C -2.995323 1.578919 0.421887
C 0.065413 -1.657145 -0.189859
C 0.959625 -0.590458 -0.158989
C -2.903403 2.860580 -0.428415
C 0.315775 -3.081686 0.031877
C 3.301585 1.103633 -0.174018
C 4.844494 1.149077 -0.015466
H -3.641634 0.168460 -1.071088
H -1.400816 0.082170 -2.245935
H -2.252679 1.619385 1.246619
H -1.897329 2.993310 -0.867826
H -3.648438 2.830992 -1.243019
H -3.112793 3.749012 0.195125
H -4.473055 1.966550 1.765572
H 3.000778 1.326768 -1.211787
H 2.813455 1.810011 0.518797
H 5.122475 0.868060 1.017393
H 5.307482 0.400683 -0.684978
H 1.758964 -4.291959 0.596162
H 5.204987 3.211294 0.357376
H 5.366837 2.769340 -1.288457


%chk=000194475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194475

0 1
S 0.236468 1.068163 -0.662867
S 2.695039 -0.653920 0.293441
O -4.165413 1.467634 1.162346
O -2.941332 -1.425565 1.297287
O 1.554753 -3.262383 0.621607
O -0.601605 -3.930652 0.025085
N -1.277055 -1.158536 -0.496588
N 5.476974 2.403956 -0.330987
C -2.737847 0.415521 -0.517839
C -1.374156 0.127798 -1.223727
C -2.440103 -0.883466 0.298190
C -2.930951 1.656390 0.388557
C 0.043856 -1.599679 -0.147710
C 0.963325 -0.554180 -0.155299
C -3.103458 2.953738 -0.404378
C 0.248745 -3.016648 0.152257
C 3.340704 1.086975 -0.188467
C 4.881717 1.105423 -0.005142
H -3.602955 0.331494 -1.199368
H -1.343441 0.080517 -2.320720
H -2.056343 1.740084 1.069288
H -2.201962 3.177963 -1.003443
H -3.975136 2.879567 -1.077947
H -3.277622 3.791716 0.291385
H -4.105152 0.610530 1.664833
H 3.062585 1.275907 -1.239292
H 2.857064 1.829679 0.468557
H 5.137122 0.848635 1.039773
H 5.339742 0.329134 -0.645633
H 1.649177 -4.235839 0.800218
H 5.280830 3.170169 0.315251
H 5.461932 2.677174 -1.315069


