%chk=000230347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230347

0 1
S 3.738608 -0.644277 0.771839
O 0.324325 -0.276470 -0.809263
O 4.595230 0.363651 1.366996
O 3.863604 -2.014680 1.223291
N -3.232096 0.170795 -0.091826
C 1.606364 0.296617 -0.494395
C 2.058586 -0.119820 0.905577
C 2.530576 -0.336567 -1.561582
C 3.918859 -0.575417 -0.989281
C -0.815681 0.410167 -0.224817
C -1.997708 -0.491735 -0.615113
C -4.197538 -0.818261 0.491205
C -3.878612 1.018853 -1.149480
C -3.661891 -1.355685 1.818694
C -4.795825 2.054267 -0.497293
H 1.551637 1.401943 -0.590064
H 1.925837 0.689986 1.644824
H 1.403468 -0.937638 1.279751
H 2.567736 0.302816 -2.462874
H 2.070051 -1.291860 -1.903376
H 4.366512 -1.502489 -1.398323
H 4.626671 0.220926 -1.293953
H -0.692956 0.480317 0.868079
H -0.885781 1.419777 -0.660854
H -2.000594 -0.659709 -1.712809
H -1.851353 -1.496694 -0.161283
H -4.424039 -1.657958 -0.200630
H -5.160459 -0.288937 0.675404
H -4.445815 0.419457 -1.894142
H -3.077504 1.547845 -1.712594
H -2.771229 -1.979657 1.682818
H -3.376989 -0.532349 2.487763
H -4.417909 -1.959024 2.331668
H -5.676638 1.591780 -0.037228
H -4.269620 2.597139 0.299968
H -5.145723 2.787492 -1.230901


%chk=000230347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230347

0 1
S 4.030931 -0.176831 0.759304
O 0.287528 -0.631238 -0.789068
O 4.651969 1.265245 1.217793
O 4.576254 -1.581508 1.395428
N -3.319540 0.105659 -0.096983
C 1.587170 0.001879 -0.579918
C 2.070896 -0.126118 0.877921
C 2.581284 -0.741067 -1.513376
C 4.012056 -0.307032 -1.200048
C -0.843281 0.106095 -0.183818
C -2.129311 -0.610199 -0.619132
C -4.402852 -0.802402 0.366731
C -3.796373 1.174677 -1.016791
C -4.074862 -1.489424 1.705706
C -4.546802 2.306504 -0.289100
H 1.535272 1.077044 -0.862552
H 1.859193 0.727087 1.536359
H 1.798028 -1.095346 1.322379
H 2.322374 -0.525206 -2.564313
H 2.457215 -1.826876 -1.349657
H 4.794420 -1.038859 -1.442876
H 4.271631 0.709262 -1.533791
H -0.770459 0.104057 0.921867
H -0.833616 1.160488 -0.536294
H -2.137588 -0.703071 -1.729994
H -2.104727 -1.637835 -0.216208
H -4.646626 -1.574613 -0.406179
H -5.315692 -0.194128 0.499357
H -4.440830 0.753249 -1.829556
H -2.909373 1.606815 -1.517785
H -3.172523 -2.123781 1.633523
H -3.896773 -0.731609 2.488327
H -4.912929 -2.137686 2.022828
H -5.461624 1.940571 0.210874
H -3.897929 2.758772 0.480920
H -4.850406 3.092025 -1.006081


