%chk=000220902.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220902

0 1
S 2.374255 2.056232 0.978340
S 1.832186 -0.101968 -0.976100
S 3.868356 -0.385086 1.212874
N 0.672918 3.455200 -0.661222
N -0.104153 -1.369278 0.495372
N -0.347695 1.822901 0.592022
N 1.235589 -2.778537 -0.737740
C -0.699860 3.526665 -0.953874
C -0.587316 -2.665282 0.706524
C -1.326002 2.494689 -0.165528
C 0.257687 -3.537998 -0.075798
C 0.819958 2.410023 0.276420
C 0.995221 -1.504539 -0.384052
C -1.448787 4.364566 -1.803517
C -1.651644 -3.172364 1.482485
C -2.722990 2.304404 -0.238213
C 0.021041 -4.931603 -0.076130
C -2.813271 4.149201 -1.850337
C -1.850732 -4.537905 1.457238
C -3.442654 3.132376 -1.077385
C -1.024678 -5.408248 0.686840
C 2.742964 0.420324 0.451357
H 1.400013 4.028387 -1.051473
H -0.469227 -0.503165 0.881577
H -0.967229 5.139062 -2.392403
H -2.277046 -2.506928 2.069273
H -3.195909 1.526152 0.357767
H 0.660633 -5.584630 -0.668093
H -3.438267 4.768820 -2.494597
H -2.659955 -4.979497 2.039263
H -4.523253 3.015899 -1.161011
H -1.238055 -6.476072 0.713019


%chk=000220902-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220902

0 1
S 2.439465 2.012232 1.060558
S 2.137692 -0.161251 -1.198866
S 4.053874 -0.551909 1.252438
N 0.577578 3.472490 -0.438869
N 0.068838 -1.240470 0.316874
N -0.285457 1.566777 0.461352
N 1.286875 -2.826683 -0.819944
C -0.774774 3.459213 -0.813641
C -0.526343 -2.466818 0.623792
C -1.301497 2.246525 -0.250254
C 0.240706 -3.452247 -0.101118
C 0.816760 2.324159 0.315875
C 1.135341 -1.526461 -0.539660
C -1.567379 4.349147 -1.567298
C -1.625829 -2.820520 1.436524
C -2.658364 1.900707 -0.447745
C -0.102032 -4.821816 -0.016727
C -2.917832 3.987763 -1.751633
C -1.948231 -4.191328 1.506035
C -3.454092 2.784619 -1.202061
C -1.200070 -5.176187 0.791581
C 2.932441 0.340481 0.414654
H 1.279624 4.167902 -0.688247
H -0.196244 -0.260812 0.585197
H -1.164854 5.272679 -1.995043
H -2.200783 -2.073473 1.993191
H -3.068546 0.977779 -0.027137
H 0.477825 -5.571105 -0.563879
H -3.572169 4.645410 -2.333522
H -2.793446 -4.511609 2.125584
H -4.508631 2.545953 -1.374535
H -1.488351 -6.229342 0.879420


