%chk=000239031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239031

0 1
S 2.464371 0.000928 0.090624
O 2.945081 1.262738 0.624400
O 2.945755 -1.259370 0.627341
N -3.455915 -0.000397 -0.154316
N 2.944815 -0.000996 -1.565044
C 0.750807 0.000530 0.046354
C -1.342121 1.233091 -0.002542
C -1.341576 -1.232925 -0.002957
C -2.055084 -0.000078 -0.026994
C 0.052038 1.211851 0.031674
C 0.052571 -1.211091 0.031269
C -2.062813 2.542943 -0.020716
C -2.061704 -2.543064 -0.021572
H 0.606417 2.157530 0.060484
H 0.607329 -2.156540 0.059783
H -2.713756 2.664164 0.855578
H -1.370074 3.397132 -0.012776
H -2.677526 2.649816 -0.926917
H -1.368607 -3.396961 -0.013845
H -2.712654 -2.664818 0.854641
H -2.676313 -2.649906 -0.927846
H -3.946542 0.839635 0.113439
H -3.946119 -0.840770 0.113136
H 3.411626 0.826989 -1.926381
H 3.413695 -0.828931 -1.923816


%chk=000239031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239031

0 1
S 2.565925 0.000626 0.041470
O 3.064435 1.437647 0.635066
O 3.065062 -1.435650 0.636313
N -3.469219 -0.000340 -0.011974
N 3.066470 -0.000477 -1.743725
C 0.709283 0.000326 0.012227
C -1.369186 1.249106 0.006059
C -1.368785 -1.249112 0.005945
C -2.076429 -0.000112 -0.005742
C 0.038662 1.234149 0.012127
C 0.039053 -1.233710 0.012009
C -2.133753 2.558842 0.016765
C -2.132945 -2.559087 0.016521
H 0.608945 2.168489 0.042960
H 0.609619 -2.167880 0.042723
H -2.788967 2.645526 0.907358
H -1.444026 3.418051 0.034240
H -2.774542 2.670554 -0.881784
H -1.442952 -3.418085 0.033889
H -2.788117 -2.646071 0.907115
H -2.773711 -2.670898 -0.882032
H -3.990706 0.870569 -0.025911
H -3.990420 -0.871419 -0.025992
H 3.618613 0.860315 -1.902331
H 3.621392 -0.859860 -1.900296


