%chk=000184004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184004

0 1
S 0.099364 0.589854 -1.375525
O 0.502836 -0.438637 -2.307568
O -0.007222 1.976089 -1.836136
O 0.813905 -2.352628 0.289817
O 2.931657 -2.507564 -0.137356
N 1.860561 1.766458 0.469730
N 2.990521 0.013472 1.362136
N 1.939248 -1.890334 0.167838
N -4.892410 -0.825246 1.413565
C 1.342601 0.626964 -0.126504
C -1.334612 0.173056 -0.565932
C 2.066778 -0.440462 0.434710
C 2.852551 1.364990 1.376067
C -2.209470 1.180413 -0.122947
C -1.687147 -1.175408 -0.374513
C 1.471745 3.156727 0.224269
C -3.394277 0.869403 0.523019
C -2.866390 -1.519803 0.267534
C -3.732018 -0.496210 0.732526
H 3.426641 2.043475 1.992859
H -1.954695 2.232404 -0.301778
H -1.021055 -1.972388 -0.741612
H 0.720872 3.496391 0.959654
H 2.346602 3.827892 0.272259
H 1.018457 3.282693 -0.797690
H -4.058941 1.657213 0.862572
H -3.117107 -2.566594 0.417918
H -5.568159 -0.123182 1.655314
H -5.194435 -1.780837 1.486674


%chk=000184004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184004

0 1
S -0.060699 0.873468 -1.234182
O 0.324718 0.000106 -2.547754
O -0.334100 2.487030 -1.368791
O 0.602500 -1.956828 0.031500
O 2.086289 -2.397276 1.718188
N 2.242753 1.905984 0.216642
N 3.103124 0.206903 1.471761
N 1.544385 -1.613821 0.858466
N -5.100381 -1.329134 1.278076
C 1.423800 0.792972 -0.005448
C -1.562345 0.151879 -0.395530
C 1.992472 -0.236307 0.771693
C 3.231719 1.496687 1.113837
C -2.293009 0.984630 0.472719
C -1.979809 -1.144420 -0.749679
C 2.180582 3.263997 -0.370683
C -3.476430 0.482741 1.038459
C -3.172282 -1.631582 -0.194461
C -3.931364 -0.834761 0.717993
H 4.013148 2.168034 1.461918
H -1.960754 2.007013 0.678549
H -1.388830 -1.742916 -1.447393
H 1.237360 3.759107 -0.102091
H 3.042339 3.830502 0.017617
H 2.231379 3.211413 -1.468386
H -4.060858 1.110152 1.720933
H -3.515707 -2.639296 -0.453052
H -5.646835 -0.771112 1.928181
H -5.426761 -2.266965 1.061818


