%chk=000296397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296397

0 1
S 5.166307 0.348309 -0.596056
O -5.531412 -0.967051 -1.644525
O -1.598621 1.179848 -1.182159
N -4.250925 0.601612 -0.542105
N -0.895227 1.265692 1.023075
N 0.451122 1.294140 0.681244
N 2.402372 2.076183 -0.226914
N 1.154612 -1.086160 1.102689
N 3.485236 -1.463905 0.462692
C -3.250581 0.650924 0.541494
C -3.265914 -0.765220 1.183456
C -4.258138 -1.601969 0.362823
C -4.769407 -0.698812 -0.747083
C -1.859274 1.004504 -0.020013
C 1.334493 0.198342 0.663279
C 2.564952 0.722125 0.118231
C 1.146667 2.403675 0.079274
C 3.643898 -0.189014 0.040967
C 2.263565 -1.858710 0.969854
C 6.228617 -1.100847 -0.512644
H -3.557158 1.438831 1.281126
H -3.578309 -0.704697 2.241284
H -2.264325 -1.235843 1.179508
H -5.104176 -1.971127 0.973836
H -3.786637 -2.504125 -0.073835
H -4.213964 1.294184 -1.286268
H -1.040659 0.822540 1.948164
H 0.663149 3.363317 -0.063109
H 2.191042 -2.909254 1.297356
H 5.830513 -1.938027 -1.103406
H 6.352939 -1.462922 0.517395
H 7.212544 -0.822840 -0.912026


%chk=000296397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296397

0 1
S 5.378001 0.589079 -0.360333
O -5.761828 -1.197801 -1.514771
O -1.453308 1.163184 -1.315810
N -4.057955 0.288594 -0.833385
N -0.873196 1.012118 0.945742
N 0.490099 1.167491 0.712531
N 2.462938 2.165448 0.131478
N 1.218103 -1.206439 0.775617
N 3.601641 -1.432823 0.245068
C -3.207198 0.569856 0.321773
C -3.321032 -0.744133 1.174148
C -4.687824 -1.338261 0.752636
C -4.931507 -0.783070 -0.667090
C -1.776934 0.923430 -0.127905
C 1.418669 0.121533 0.584707
C 2.641873 0.769688 0.239965
C 1.170036 2.366785 0.411685
C 3.763268 -0.087677 0.072296
C 2.366875 -1.921634 0.580691
C 6.386260 -0.999005 -0.447561
H -3.595282 1.434893 0.904770
H -3.257208 -0.542504 2.257688
H -2.503749 -1.434697 0.899302
H -5.513038 -1.005759 1.409470
H -4.702271 -2.438999 0.729868
H -3.950014 0.787435 -1.718397
H -1.133267 0.680149 1.878287
H 0.657216 3.325663 0.410362
H 2.295409 -3.005408 0.706004
H 5.967010 -1.661701 -1.216671
H 6.370073 -1.503650 0.527894
H 7.405443 -0.678083 -0.712456


