%chk=000259150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259150

0 1
S 0.346914 -0.275323 -0.117607
O -3.383885 2.533433 1.562889
N -2.281297 -0.827914 -0.436216
N -1.709494 1.180397 0.753636
C -1.865140 -2.081769 -1.118203
C 1.181521 1.185944 0.590288
C -1.366775 0.097070 0.114418
C 2.630792 0.883872 0.417601
C -3.652804 -0.586179 -0.203722
C 3.301817 1.286778 -0.748602
C 3.333093 0.197466 1.421759
C -4.058050 0.524779 0.456118
C -1.635533 -3.203476 -0.140513
C -3.097104 1.514057 0.981225
C 4.661521 1.006304 -0.904794
C 4.692635 -0.079782 1.258858
C 5.358778 0.323344 0.096975
C -1.750810 -4.484011 -0.481575
H -2.642102 -2.353959 -1.872550
H -0.933496 -1.900259 -1.713931
H 0.878661 1.328821 1.650201
H 0.853264 2.110502 0.070243
H -4.352705 -1.333987 -0.593316
H 2.764147 1.819316 -1.532085
H 2.819494 -0.118681 2.329004
H -5.110226 0.740849 0.633615
H -1.346416 -2.895437 0.867814
H 5.179221 1.322019 -1.809495
H 5.234552 -0.610646 2.040361
H 6.418395 0.107193 -0.026743
H -1.564253 -5.294908 0.211195
H -2.030917 -4.832313 -1.465549


%chk=000259150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259150

0 1
S 0.083916 0.049617 -1.649590
O -1.825904 1.943751 2.687011
N -2.103296 -0.913316 -0.273297
N -1.029576 1.009803 0.678042
C -2.186987 -1.975740 -1.320123
C 1.201840 1.533965 -1.135997
C -1.121317 0.090539 -0.253528
C 2.403682 1.120698 -0.325868
C -3.005219 -0.938131 0.798292
C 3.607337 0.718444 -0.962597
C 2.350392 1.153401 1.093180
C -2.957790 -0.006884 1.805462
C -1.501109 -3.259225 -0.893621
C -1.934121 1.054867 1.795118
C 4.735906 0.349569 -0.198334
C 3.480211 0.785189 1.856687
C 4.674519 0.381113 1.214963
C -2.118174 -4.465130 -0.851565
H -3.254411 -2.157127 -1.539397
H -1.726706 -1.574074 -2.241250
H 0.519395 2.188913 -0.570940
H 1.464497 1.979860 -2.108560
H -3.738012 -1.749399 0.772819
H 3.659218 0.696067 -2.058619
H 1.421636 1.466091 1.582809
H -3.672242 -0.038901 2.630975
H -0.440821 -3.164793 -0.622158
H 5.661032 0.044341 -0.700391
H 3.429899 0.819028 2.950752
H 5.550832 0.098394 1.809342
H -1.579706 -5.371749 -0.556044
H -3.175122 -4.585680 -1.122279


