%chk=000289116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289116

0 1
S -2.215028 2.897349 -0.454608
N 0.358259 0.084457 -0.414099
N 1.534324 0.692224 -0.766891
C -2.003299 -0.209546 -0.392833
C -3.014360 0.415935 0.367492
C -0.799384 0.581370 -0.752951
C -2.797595 1.799506 0.874158
C -1.100210 1.867511 -1.457447
C -2.159379 -1.531965 -0.824267
C -4.188340 -0.289873 0.661277
C -3.330841 -2.229903 -0.515992
C -4.344039 -1.607195 0.218777
C 2.721402 0.176618 -0.139522
C 3.867380 0.997840 -0.153911
C 2.781833 -1.125548 0.391512
C 5.068371 0.499202 0.354138
C 3.991584 -1.598434 0.898251
C 5.136831 -0.793547 0.881389
H -3.722486 2.262971 1.275394
H -2.056333 1.797792 1.702266
H -0.202898 2.472709 -1.686827
H -1.593854 1.660261 -2.432654
H -1.363593 -2.012530 -1.394496
H -4.981286 0.184351 1.236600
H -3.452455 -3.258853 -0.849956
H -5.259248 -2.150250 0.451102
H 1.536676 1.706412 -0.949375
H 3.829808 2.004771 -0.559306
H 1.889607 -1.752746 0.404914
H 5.958238 1.128011 0.340410
H 4.043662 -2.606039 1.310604
H 6.075253 -1.172863 1.277351


%chk=000289116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289116

0 1
S -2.575062 2.858299 -1.158888
N 0.345819 0.097927 -0.137451
N 1.516819 0.786925 -0.315476
C -2.036107 -0.119037 -0.152028
C -3.312232 0.468054 0.119672
C -0.820343 0.709966 -0.331463
C -3.452690 1.964473 0.267884
C -0.872394 2.186338 -0.718095
C -1.944091 -1.536853 -0.252507
C -4.447682 -0.364824 0.262710
C -3.077450 -2.354312 -0.087491
C -4.340964 -1.769039 0.166794
C 2.761046 0.156027 -0.086528
C 3.951153 0.893710 -0.327732
C 2.840110 -1.183553 0.377056
C 5.207930 0.293226 -0.107560
C 4.104642 -1.769090 0.590151
C 5.295721 -1.041896 0.351807
H -4.504683 2.288643 0.230464
H -3.000720 2.341771 1.203079
H -0.456668 2.811472 0.098720
H -0.263629 2.366824 -1.627621
H -0.965632 -1.975836 -0.468062
H -5.423859 0.095206 0.458262
H -2.981969 -3.442607 -0.170462
H -5.231006 -2.397448 0.280614
H 1.530757 1.769328 -0.614894
H 3.893664 1.929399 -0.687838
H 1.915428 -1.734409 0.564468
H 6.119854 0.870484 -0.297225
H 4.159967 -2.803369 0.948616
H 6.272873 -1.505799 0.521526


