%chk=000219396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219396

0 1
S 2.383866 -0.054238 -2.250094
O 2.747410 1.649646 -1.817093
O 3.343678 -1.044232 -1.284602
O -4.507790 0.691157 -0.752955
N -3.074930 -0.732860 0.446730
N 5.441547 1.604797 0.684553
N 4.582414 1.138649 -0.140011
C 0.681938 -0.241617 -1.420136
C -1.831612 -0.531285 -0.213348
C -0.407580 0.502540 -1.909810
C 0.551096 -1.133834 -0.342331
C -1.676734 0.362657 -1.309200
C -0.712315 -1.273917 0.261907
C -4.318728 -0.151534 0.168614
C -5.451500 -0.634568 1.075299
H -0.281988 1.198319 -2.746465
H 1.430280 -1.699309 -0.012035
H -2.538070 0.926344 -1.669447
H -0.836481 -1.969218 1.102768
H -3.056587 -1.397884 1.223133
H 5.426098 2.658206 0.642144
H 4.513729 0.075953 -0.181345
H 3.528193 1.599812 -1.038540
H -5.207196 -0.551952 2.148545
H -5.709607 -1.688640 0.854723
H -6.343232 -0.024990 0.862098


%chk=000219396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219396

0 1
S 2.515495 -0.403854 -2.405480
O 2.769905 1.403038 -2.361398
O 3.506648 -1.112581 -1.256735
O -4.219213 0.881000 -0.622270
N -2.883799 -0.730513 0.445091
N 4.372491 1.813885 1.063763
N 3.891366 1.314420 -0.012257
C 0.841188 -0.453366 -1.528640
C -1.649612 -0.599093 -0.247854
C -0.198804 0.398085 -1.947023
C 0.668754 -1.379671 -0.483229
C -1.453122 0.332644 -1.306159
C -0.581125 -1.446585 0.159142
C -4.077703 -0.023229 0.250420
C -5.214273 -0.427833 1.185843
H -0.030077 1.128878 -2.744666
H 1.509026 -2.010788 -0.174231
H -2.274623 0.985926 -1.603898
H -0.729709 -2.161547 0.978461
H -2.896448 -1.437553 1.183550
H 4.211256 2.859149 1.048839
H 4.007706 0.253556 -0.078051
H 3.155481 1.623514 -1.394557
H -4.957154 -1.245856 1.881091
H -6.082875 -0.736705 0.579587
H -5.524880 0.453082 1.773764


