%chk=000299317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299317

0 1
S 0.866696 -0.338133 -0.428960
O 4.019611 0.192439 1.754969
O 3.637434 -0.046334 -0.537992
N -1.869230 -0.066134 -0.516369
N -1.123217 -1.152133 1.328113
N -4.458778 0.540030 -1.412912
C 1.796116 0.025285 1.085756
C 3.208565 -0.440793 0.760958
C -0.746276 -0.531878 0.176502
C -3.013989 -0.444912 0.257324
C -2.501808 -1.102363 1.393856
C -2.034251 0.608747 -1.735903
C -4.306065 -0.100250 -0.266592
C -3.314292 0.892315 -2.141525
C 5.376446 -0.295397 1.823940
C 3.793679 1.369643 -0.774084
H 1.760441 1.101651 1.340533
H 1.384806 -0.511073 1.967906
H 3.350885 -1.542684 0.730173
H -3.049406 -1.524967 2.219869
H -1.135905 0.878034 -2.296674
H -5.202677 -0.378789 0.303981
H -3.521088 1.421449 -3.078941
H 5.383828 -1.313453 2.223684
H 5.850191 0.403806 2.522872
H 5.849140 -0.249812 0.837323
H 2.816561 1.816306 -0.976855
H 4.431751 1.396603 -1.664423
H 4.281432 1.851496 0.079874


%chk=000299317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299317

0 1
S 0.809155 0.157385 -0.691133
O 3.997610 -0.048663 1.830735
O 3.924778 0.231729 -0.574340
N -1.983607 -0.025315 -0.576783
N -0.995279 -0.520582 1.396925
N -4.690619 0.008945 -1.408138
C 1.869554 0.316141 0.877197
C 3.247387 -0.294564 0.609698
C -0.783875 -0.138548 0.112320
C -3.035610 -0.368665 0.350771
C -2.366785 -0.660395 1.558338
C -2.296822 0.332242 -1.892241
C -4.374534 -0.330332 -0.145693
C -3.629222 0.340273 -2.262965
C 5.255510 -0.812074 1.899281
C 4.150750 1.689428 -0.562410
H 1.942286 1.380222 1.147538
H 1.335591 -0.232780 1.667982
H 3.176087 -1.377767 0.386978
H -2.797204 -0.957728 2.510908
H -1.471762 0.588533 -2.558944
H -5.202132 -0.588244 0.524136
H -3.910139 0.616712 -3.281997
H 5.052279 -1.901785 1.917373
H 5.737568 -0.508879 2.840963
H 5.910302 -0.575889 1.040207
H 3.209929 2.246169 -0.740157
H 4.846470 1.880319 -1.393583
H 4.602932 2.012809 0.393436


