%chk=000280410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280410

0 1
S 2.523091 -0.651078 0.354728
O 3.025663 -1.213672 -0.873714
O 3.395784 -0.608031 1.515075
N 1.207761 -1.631742 0.952677
N 0.198412 -1.766207 0.037743
C -3.151882 -1.994980 -0.385975
C -1.837711 -2.603668 -0.895648
C -3.033031 -0.481977 -0.154581
C -0.771207 -2.627999 0.175220
C 1.824163 0.890644 0.077723
C -0.921978 -3.631418 1.277863
C 2.025765 1.923226 1.001589
C 1.053661 1.121223 -1.068717
C 0.692680 3.416556 -0.368108
C 1.465900 3.181329 0.782300
C 0.490335 2.376971 -1.293401
C -4.317140 0.106338 0.349465
C 0.085008 4.756495 -0.614829
C -4.379389 1.025419 1.311165
H -3.462389 -2.490803 0.554856
H -3.955213 -2.203707 -1.119494
H -2.012145 -3.638493 -1.255103
H -1.481870 -2.039816 -1.785773
H -2.193593 -0.277253 0.544051
H -2.746943 0.027693 -1.099105
H 1.364235 -2.347328 1.675958
H -0.069128 -4.323855 1.314383
H -0.998911 -3.139014 2.258624
H -1.824144 -4.246738 1.163711
H 2.630356 1.743840 1.899487
H 0.890916 0.313268 -1.791715
H 1.629323 3.979588 1.503425
H -0.106368 2.552043 -2.186210
H -5.218540 -0.263808 -0.142982
H -1.013017 4.693936 -0.662062
H 0.330743 5.490990 0.163869
H 0.423299 5.179760 -1.572874
H -5.306033 1.457168 1.658341
H -3.514462 1.416099 1.826641


%chk=000280410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280410

0 1
S 2.597628 -0.668186 0.168732
O 2.949365 -1.295909 -1.289971
O 3.654460 -0.726673 1.405780
N 1.030090 -1.491563 0.955792
N 0.057903 -1.717040 -0.003851
C -3.366924 -2.251039 -0.336095
C -1.974554 -2.741180 -0.829040
C -3.404261 -0.726042 -0.050387
C -0.886641 -2.612347 0.217073
C 1.983443 1.085777 -0.073875
C -0.945335 -3.465091 1.472214
C 2.073539 1.972680 1.008642
C 1.486588 1.444531 -1.337047
C 1.112599 3.716646 -0.449009
C 1.631305 3.299202 0.804790
C 1.051271 2.775060 -1.512120
C -4.781112 -0.251163 0.363908
C 0.636296 5.142323 -0.659717
C -5.075517 0.395489 1.520145
H -3.665473 -2.802145 0.577547
H -4.119752 -2.498991 -1.110981
H -2.058021 -3.805863 -1.129001
H -1.670674 -2.163062 -1.720113
H -2.662723 -0.468058 0.728495
H -3.087363 -0.194051 -0.972379
H 1.405481 -2.304610 1.496592
H -0.017224 -4.060643 1.602993
H -1.053309 -2.836307 2.377871
H -1.790580 -4.169909 1.436381
H 2.489678 1.642414 1.965656
H 1.458335 0.711854 -2.149177
H 1.692570 4.017222 1.630209
H 0.658204 3.086706 -2.486903
H -5.595096 -0.463615 -0.348935
H -0.435359 5.167915 -0.931950
H 0.768261 5.753940 0.248460
H 1.191476 5.631564 -1.481457
H -6.097167 0.712391 1.759207
H -4.299405 0.628773 2.260123


