%chk=000224572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224572

0 1
S 1.800370 1.867803 -0.204570
O 2.024548 3.094585 0.539689
O 2.281686 1.752800 -1.553272
O -4.161155 -1.162988 -1.427546
N 2.713811 0.763050 0.816470
N -3.890085 0.308521 0.331869
N 1.955526 -1.150155 -0.333976
N 3.690140 -2.785127 1.195526
C 0.167808 1.398829 -0.067206
C -0.402608 0.519252 -0.999312
C -0.620183 1.910644 0.975505
C -2.521454 0.650426 0.158304
C -1.738961 0.141636 -0.893697
C -1.954768 1.547630 1.099403
C 2.783540 -0.613044 0.622389
C -4.646591 -0.587082 -0.480592
C 3.654350 -1.456524 1.392185
C -6.073088 -0.730488 -0.037745
C 2.012109 -2.493795 -0.517301
C 2.874425 -3.309819 0.240964
H 0.208273 0.122748 -1.823090
H -0.181391 2.612497 1.696355
H -2.172911 -0.548547 -1.626925
H -2.551444 1.954029 1.911632
H 3.339074 1.159956 1.531244
H -4.364189 0.755891 1.121736
H 4.316509 -1.045122 2.158610
H -6.164292 -1.136164 0.979331
H -6.602613 -1.433248 -0.706260
H -6.627790 0.217360 -0.077065
H 1.349336 -2.905940 -1.287484
H 2.925117 -4.391713 0.094129


%chk=000224572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224572

0 1
S 1.783463 1.763255 -0.098502
O 2.000235 3.134171 0.754535
O 2.307757 1.633277 -1.622954
O -4.472343 -1.211389 -1.392833
N 2.673867 0.556032 1.035563
N -4.126208 0.424758 0.257666
N 2.214330 -1.347242 -0.286200
N 4.279274 -2.773631 1.059425
C -0.023839 1.283482 0.009619
C -0.538654 0.334431 -0.885699
C -0.803929 1.954239 0.966349
C -2.736858 0.681327 0.136764
C -1.912577 0.028602 -0.824382
C -2.173379 1.642571 1.024569
C 2.976141 -0.751585 0.683598
C -4.923215 -0.471250 -0.474571
C 4.018739 -1.477707 1.353513
C -6.391647 -0.465776 -0.053909
C 2.497370 -2.648646 -0.576944
C 3.517038 -3.366025 0.086210
H 0.122713 -0.160464 -1.601785
H -0.354327 2.705215 1.622975
H -2.355797 -0.703400 -1.500670
H -2.809317 2.151017 1.759619
H 3.287390 1.087565 1.665591
H -4.611711 0.966797 0.977183
H 4.633353 -1.009733 2.130378
H -6.506330 -0.746920 1.009425
H -6.935620 -1.193545 -0.672094
H -6.846526 0.531901 -0.197287
H 1.891069 -3.115703 -1.359700
H 3.742640 -4.407725 -0.156152


