%chk=000206971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206971

0 1
S -2.567755 0.069635 1.783980
O 1.025605 -1.143905 -0.002949
O 0.350735 -0.472891 2.075599
O 4.581522 -2.991913 -0.385373
O 2.455826 -3.160831 -0.048368
N 0.856786 1.672025 0.012388
N 3.472237 -2.508596 -0.218315
C 2.096596 1.056070 -0.081585
C 3.307312 1.786606 -0.213315
C 2.154654 -0.389167 -0.063411
C 3.372609 -1.042711 -0.222224
C 4.545766 1.085940 -0.366949
C 4.575445 -0.281442 -0.383034
C -1.066070 -1.886919 0.644157
C 3.219218 3.216600 -0.196468
C -2.372654 -1.443308 0.890213
C 0.076569 -1.056574 1.075646
C 1.993464 3.818497 -0.074213
C -0.850548 -3.111620 -0.004535
C -3.468120 -2.203278 0.490950
C 0.816936 2.999064 0.019628
C -1.950267 -3.880884 -0.398806
C -3.250693 -3.428040 -0.155866
C -3.328497 1.122931 0.585622
C -2.630167 1.483078 -0.568458
C -4.597668 1.632512 0.863971
C -3.225481 2.371877 -1.469559
C -5.180008 2.528832 -0.039464
C -4.496751 2.894079 -1.204549
H 5.463717 1.664363 -0.474007
H 5.514276 -0.835576 -0.510476
H 4.135481 3.802531 -0.279584
H 0.176622 -3.448289 -0.201233
H 1.887004 4.902228 -0.048261
H -4.484611 -1.854935 0.679227
H -0.174031 3.467440 0.102990
H -1.788198 -4.835275 -0.900597
H -4.104006 -4.030836 -0.469318
H -1.631094 1.083403 -0.765715
H -5.131596 1.342596 1.769477
H -2.698034 2.656129 -2.378562
H -6.167795 2.938766 0.164349
H -4.956338 3.586789 -1.908203


%chk=000206971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206971

0 1
S -2.430635 1.076993 0.777282
O 1.555718 -1.032936 -0.029639
O 0.337429 0.728769 0.921564
O 4.202939 -2.882334 2.507396
O 2.001785 -2.303221 2.350048
N 2.335696 1.206691 -1.456013
N 3.246107 -2.124413 2.074528
C 3.201867 0.715605 -0.493763
C 4.505419 1.287176 -0.239677
C 2.770031 -0.422873 0.279084
C 3.639722 -0.966342 1.237318
C 5.363228 0.690925 0.740807
C 4.944835 -0.425505 1.455122
C -0.831737 -1.008209 -0.341604
C 4.878178 2.436168 -1.010634
C -2.156176 -0.482817 -0.173875
C 0.331251 -0.315444 0.243935
C 3.991880 2.940120 -1.963482
C -0.643428 -2.210918 -1.080537
C -3.243566 -1.182290 -0.753459
C 2.732048 2.284148 -2.156696
C -1.731132 -2.892792 -1.648670
C -3.035854 -2.370663 -1.480545
C -4.271144 1.264363 0.641950
C -4.821097 2.031373 -0.411482
C -5.104774 0.737863 1.655864
C -6.216005 2.262504 -0.455584
C -6.499312 0.971331 1.607289
C -7.055639 1.732573 0.552448
H 6.353336 1.122420 0.923213
H 5.584045 -0.911335 2.196545
H 5.854946 2.903455 -0.843055
H 0.374464 -2.591213 -1.191194
H 4.242818 3.817242 -2.567457
H -4.259609 -0.796560 -0.634902
H 2.027864 2.655419 -2.910089
H -1.569988 -3.817181 -2.211892
H -3.898120 -2.888878 -1.914960
H -4.162360 2.442290 -1.183536
H -4.664369 0.155761 2.471969
H -6.642164 2.857391 -1.270893
H -7.145139 0.564147 2.392909
H -8.135359 1.916201 0.519165


