%chk=000295830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295830

0 1
S 3.212868 2.920057 -0.544337
O -2.883005 0.737595 0.050285
O 0.912935 -2.142719 0.525228
O -2.050544 -1.344406 -0.259622
O 0.768160 -2.152168 -1.752156
N 1.817504 0.613646 -0.584508
N 0.605953 2.693725 -0.223344
C -0.582064 0.581579 -0.273646
C 0.648122 -0.067181 -0.498987
C -1.858186 -0.154116 -0.176181
C -0.545971 1.994680 -0.141136
C 0.772951 -1.566578 -0.701944
C -4.245589 0.200600 0.135146
C 0.989231 -3.609756 0.584602
C 1.753102 1.974101 -0.443685
C -4.761483 -0.108619 -1.252825
C 2.352974 -4.076203 0.127317
C 4.501295 1.705069 -0.846220
H -1.473255 2.566846 0.035319
H -4.231043 -0.685737 0.794369
H -4.764893 1.047743 0.619856
H 0.805103 -3.769682 1.663319
H 0.163283 -4.021929 -0.022505
H -5.826907 -0.368223 -1.236808
H -4.635543 0.743785 -1.933045
H -4.223308 -0.959935 -1.698641
H 2.491234 -5.149059 0.306863
H 2.493893 -3.901414 -0.951002
H 3.159155 -3.542252 0.647448
H 4.331185 1.138304 -1.773777
H 4.580103 0.969667 -0.032310
H 5.456941 2.239580 -0.931769


%chk=000295830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295830

0 1
S 3.296137 2.987728 -0.610627
O -2.929758 0.756546 0.058216
O 0.898801 -2.146687 0.531955
O -1.957789 -1.343622 -0.276184
O 0.796268 -2.065032 -1.806302
N 1.838571 0.665032 -0.592101
N 0.646619 2.773279 -0.271764
C -0.575051 0.657577 -0.277199
C 0.661666 -0.012735 -0.490002
C -1.850812 -0.095600 -0.173635
C -0.512711 2.076848 -0.173603
C 0.767759 -1.512866 -0.686358
C -4.279393 0.112670 0.148636
C 0.985105 -3.644231 0.498042
C 1.778129 2.024569 -0.480371
C -4.889437 -0.062754 -1.244268
C 2.431688 -4.095455 0.284379
C 4.555740 1.619239 -0.900006
H -1.424861 2.655427 -0.006813
H -4.168732 -0.856114 0.666231
H -4.855393 0.815724 0.770814
H 0.594101 -3.941633 1.483584
H 0.318502 -4.007893 -0.302832
H -5.918150 -0.457333 -1.149917
H -4.938444 0.901528 -1.778501
H -4.301722 -0.776793 -1.844765
H 2.489548 -5.197810 0.352029
H 2.795540 -3.791251 -0.710988
H 3.095644 -3.667616 1.055077
H 4.297474 1.065361 -1.812666
H 4.566458 0.936704 -0.039438
H 5.522705 2.134193 -1.009319


