%chk=000285178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285178

0 1
S 0.260660 -0.591277 -0.537818
O 0.266878 -2.031254 -0.693774
O 0.858139 0.243299 -1.585488
O 3.240653 -0.747988 1.881083
N 3.253520 0.058967 -0.256992
N -5.250930 1.264748 0.479278
C 1.117212 -0.179451 0.953954
C -1.338013 -0.052970 -0.243229
C 2.624201 -0.326578 0.914030
C -1.729811 1.240010 -0.622960
C -2.281449 -0.920085 0.329531
C -3.024546 1.686722 -0.404608
C -3.583989 -0.504377 0.562000
C 4.732393 -0.006025 -0.377535
C -3.966964 0.814146 0.200672
C 5.323131 1.385684 -0.590693
H 0.762787 -0.808262 1.805964
H 0.887449 0.853708 1.289659
H -1.003892 1.904726 -1.108988
H -1.988563 -1.945603 0.589009
H 2.740079 0.439551 -1.069622
H 5.159372 -0.474639 0.543203
H 4.985055 -0.674438 -1.232050
H -3.314223 2.691608 -0.696962
H -4.303106 -1.182217 1.012519
H 4.928630 1.866844 -1.493489
H 5.105175 2.049159 0.255623
H 6.413278 1.334191 -0.694550
H -5.578738 2.133270 0.093000
H -5.965388 0.616628 0.763336


%chk=000285178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285178

0 1
S 0.278369 -0.673005 -0.476034
O 0.239939 -2.304983 -0.549924
O 0.924307 0.232265 -1.708704
O 3.506644 -0.450709 2.028144
N 3.344242 0.013799 -0.266547
N -5.402925 1.274964 0.337563
C 1.300367 -0.158153 1.123592
C -1.464434 -0.053315 -0.205100
C 2.827715 -0.225422 0.975905
C -1.793529 1.257648 -0.597846
C -2.408523 -0.946672 0.334670
C -3.114435 1.700604 -0.413991
C -3.727918 -0.499058 0.516837
C 4.796261 -0.002848 -0.522351
C -4.099636 0.833081 0.153539
C 5.410257 1.413694 -0.537447
H 0.961859 -0.864854 1.895067
H 0.953072 0.866690 1.337459
H -1.040393 1.899839 -1.066480
H -2.118295 -1.974455 0.577827
H 2.677857 0.196165 -1.044272
H 5.266848 -0.608913 0.270667
H 4.967901 -0.507123 -1.491084
H -3.394022 2.716047 -0.717154
H -4.479598 -1.179043 0.933717
H 4.940672 2.045351 -1.313021
H 5.274853 1.903560 0.442366
H 6.493801 1.356571 -0.749245
H -5.679586 2.214746 0.067686
H -6.112671 0.661625 0.728263


