%chk=000296527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296527

0 1
S -3.730699 -1.609915 -0.049301
O 2.151046 0.551068 0.095117
O 5.619604 0.057880 0.101529
O 4.417848 1.865104 0.172793
N -3.047523 0.893433 0.067242
N -1.182183 -0.744827 0.009990
N 4.559450 0.660200 0.119846
C 1.156539 -0.439381 0.042469
C 1.719747 -1.700424 -0.009553
C -4.456823 0.841273 0.053575
C 3.355698 -0.164082 0.072914
C 3.139325 -1.525571 0.010014
C -2.518966 -0.326741 0.017741
C -0.197801 0.105604 0.055744
C -4.983792 -0.429157 -0.007119
C -5.210746 2.115434 0.113583
H 1.188661 -2.638597 -0.056054
H 3.887143 -2.303618 -0.018781
H -0.267231 1.210856 0.104275
H -6.024933 -0.702106 -0.027481
H -5.204509 2.527718 1.136433
H -4.755267 2.884166 -0.533475
H -6.258086 1.996985 -0.194002


%chk=000296527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296527

0 1
S -3.825014 -1.732852 -0.091982
O 2.134195 0.586786 0.115833
O 5.662831 -0.026077 0.123390
O 4.483804 1.949844 0.226499
N -3.034187 0.821858 0.067649
N -1.215526 -0.827605 -0.009568
N 4.560313 0.662510 0.150830
C 1.129874 -0.408100 0.043713
C 1.733027 -1.677456 -0.023637
C -4.426886 0.839141 0.053633
C 3.345941 -0.101860 0.090192
C 3.146018 -1.480979 0.005935
C -2.529065 -0.414631 0.000326
C -0.231569 0.056101 0.054036
C -5.027342 -0.422219 -0.027623
C -5.159097 2.152150 0.123193
H 1.188895 -2.616518 -0.086245
H 3.932275 -2.230287 -0.028576
H -0.398734 1.144590 0.117617
H -6.092081 -0.645627 -0.052910
H -4.895882 2.693271 1.049557
H -4.874335 2.799082 -0.725667
H -6.250951 2.004177 0.101304


