%chk=000208448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208448

0 1
S -2.753339 -1.443576 0.343111
O 2.203420 2.268427 -0.881143
O -1.865479 -2.402586 0.973931
O -4.069150 -1.170461 0.893355
N 0.009514 3.682700 -0.548753
N -3.032536 -2.068125 -1.238449
C 0.145004 1.250630 -0.336505
C -1.927965 0.031092 0.091874
C -0.557352 0.050284 -0.141103
C -0.597947 2.478542 -0.322788
C -2.646695 1.248621 0.137612
C 1.599950 1.251291 -0.565474
C -2.007436 2.449385 -0.064314
C 2.351150 -0.035287 -0.405623
C 3.041969 -0.563494 -1.504024
C 2.404386 -0.676788 0.839339
C 3.768797 -1.748964 -1.360334
C 3.138293 -1.857728 0.978374
C 3.816330 -2.395778 -0.121113
H -0.004711 -0.901703 -0.169636
H -3.726118 1.225309 0.342959
H -2.565510 3.381531 -0.030208
H 3.016562 -0.046715 -2.463863
H 1.878333 -0.256704 1.697109
H -0.506431 4.545129 -0.532063
H 1.014480 3.737679 -0.757616
H -2.589531 -2.949996 -1.486293
H -3.986542 -2.067625 -1.591193
H 4.302289 -2.165183 -2.213660
H 3.177869 -2.361239 1.943922
H 4.383697 -3.319469 -0.010530


%chk=000208448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208448

0 1
S -2.903140 -1.517452 0.422943
O 2.171120 2.171965 -1.235956
O -1.796326 -2.682586 0.705316
O -4.128030 -1.187188 1.445643
N 0.055866 3.623271 -0.717384
N -3.742414 -1.884322 -1.182399
C 0.123381 1.181090 -0.442537
C -1.975733 0.063850 0.094226
C -0.618686 -0.011086 -0.213949
C -0.586463 2.451048 -0.412696
C -2.673999 1.288306 0.203203
C 1.575420 1.139460 -0.745443
C -1.975918 2.469513 -0.051349
C 2.401815 -0.086890 -0.483628
C 3.480659 -0.354494 -1.370143
C 2.217082 -0.921265 0.652956
C 4.331737 -1.455034 -1.149491
C 3.082338 -2.013296 0.881157
C 4.133138 -2.290095 -0.023146
H -0.133748 -0.989168 -0.283124
H -3.731098 1.297660 0.486890
H -2.493950 3.433391 0.006322
H 3.636159 0.316190 -2.221289
H 1.427440 -0.701481 1.378448
H -0.432188 4.514119 -0.653059
H 1.031779 3.547617 -1.047362
H -3.225211 -2.643040 -1.657921
H -4.718895 -2.142310 -0.958471
H 5.150401 -1.660941 -1.847462
H 2.935699 -2.643826 1.764360
H 4.797065 -3.143808 0.152247


