%chk=000248757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248757

0 1
S -2.213822 1.323463 -0.139436
O -3.254071 1.892367 0.685756
O -1.710467 2.005565 -1.303531
O 4.838442 -0.172052 -1.294348
O 5.203084 -0.475750 0.814521
N -0.910857 1.156504 1.010028
N 4.481152 -0.173915 -0.124995
C 0.436886 0.880508 0.729834
C 1.324627 0.527619 1.798342
C -2.593608 -0.307132 -0.533257
C 0.922097 0.924525 -0.596079
C 2.638994 0.191388 1.500232
C 3.095580 0.204196 0.167508
C 2.239229 0.586073 -0.876902
C 0.861584 0.511083 3.219054
C -3.579062 -0.983398 0.196784
C -1.935371 -0.952522 -1.586282
C -3.896155 -2.307102 -0.116966
C -2.251108 -2.277285 -1.900322
C -3.229713 -2.954254 -1.164231
H -1.134497 1.339182 2.001062
H 0.286063 1.282789 -1.415139
H 3.339612 -0.091935 2.295435
H 2.618777 0.619976 -1.904953
H 1.664856 0.223752 3.914308
H 0.514760 1.502339 3.546286
H 0.046673 -0.210753 3.373395
H -4.111017 -0.473444 1.008487
H -1.177291 -0.422743 -2.173731
H -4.663408 -2.833497 0.450414
H -1.736580 -2.780527 -2.719137
H -3.476287 -3.989219 -1.409135


%chk=000248757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248757

0 1
S -2.220817 1.302624 -0.044462
O -3.340599 1.853753 0.994829
O -1.733990 2.149582 -1.340620
O 4.984551 -0.373007 -1.189643
O 5.428637 -0.251101 1.047147
N -0.828718 0.996618 1.123759
N 4.620546 -0.175598 0.037333
C 0.516488 0.754891 0.814730
C 1.443866 0.666201 1.912707
C -2.689049 -0.435000 -0.624157
C 0.966398 0.559887 -0.522494
C 2.785527 0.360486 1.630686
C 3.210712 0.149534 0.298962
C 2.309611 0.254308 -0.782420
C 0.974274 0.886313 3.337458
C -3.433109 -1.233361 0.259404
C -2.316291 -0.819422 -1.920940
C -3.802999 -2.522046 -0.188730
C -2.697623 -2.113227 -2.347111
C -3.430898 -2.959247 -1.482800
H -1.097588 1.374266 2.039897
H 0.274632 0.694400 -1.357307
H 3.520329 0.277617 2.436711
H 2.673991 0.107216 -1.802163
H 1.811522 0.785756 4.046248
H 0.548613 1.900317 3.481670
H 0.198596 0.152352 3.631915
H -3.728415 -0.860283 1.245060
H -1.777557 -0.129595 -2.578174
H -4.383287 -3.177017 0.468837
H -2.426010 -2.452463 -3.351658
H -3.722242 -3.958951 -1.821671


