%chk=000248408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248408

0 1
S 2.403278 0.068572 -0.015690
O 0.589290 -2.185517 0.454887
O -3.367310 0.099875 -0.124774
O 2.852366 -0.601325 -1.208944
O 2.919662 1.443198 0.186145
N -1.409469 1.312559 -0.090190
N -1.398408 -1.096511 0.153279
N 0.629423 2.561926 -0.072885
N 2.888746 -0.812774 1.356644
C 0.701310 0.145636 0.072528
C -0.001003 1.351915 -0.027764
C 0.044313 -1.117468 0.239162
C -2.157335 0.069204 -0.030470
C -2.211663 2.555430 -0.233198
C -2.152969 -2.376296 0.256248
H -3.295374 2.299330 -0.280507
H -1.967331 3.083207 -1.169947
H -2.075851 3.220317 0.635513
H -1.441126 -3.219001 0.362439
H -2.763585 -2.539057 -0.648626
H -2.820593 -2.362797 1.134356
H 0.137398 3.436210 -0.153529
H 1.687610 2.614252 0.037400
H 3.837300 -0.708176 1.703013
H 2.583123 -1.785209 1.448311


%chk=000248408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248408

0 1
S 2.516430 0.115026 0.024616
O 0.624809 -2.229482 0.464853
O -3.420929 0.064258 -0.106435
O 3.027115 -0.560298 -1.358516
O 3.056696 1.643209 0.338343
N -1.429406 1.306738 -0.098259
N -1.408522 -1.086014 0.163435
N 0.578411 2.577223 -0.100901
N 2.900399 -0.870123 1.501855
C 0.665590 0.150466 0.115913
C -0.034199 1.364178 -0.028697
C 0.020510 -1.125010 0.259360
C -2.163228 0.077930 -0.021393
C -2.221515 2.546015 -0.249877
C -2.163284 -2.356582 0.273969
H -3.280531 2.250754 -0.273376
H -1.976587 3.058013 -1.198143
H -2.058284 3.224219 0.607026
H -1.426721 -3.161985 0.404649
H -2.757456 -2.520130 -0.639456
H -2.848162 -2.315565 1.136519
H 0.059136 3.438991 -0.243352
H 1.615073 2.580688 0.036798
H 3.927555 -0.935275 1.597175
H 2.408903 -1.779744 1.377293


