%chk=000256891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256891

0 1
S -1.034276 -0.363976 -1.105571
O -0.656183 0.893320 -1.703748
O -0.826145 -1.589285 -1.884373
O 1.269319 1.428233 1.540631
O 5.322280 -0.178266 0.050435
N 3.430789 -1.392516 -0.448157
N -0.160374 -0.687200 0.354838
N 3.300739 0.678089 0.795430
N 1.485999 -2.745020 -0.875464
C 1.267923 -0.572235 0.247481
C 2.029081 -1.567388 -0.369451
C 1.866147 0.579301 0.903715
C -2.652401 -0.282504 -0.529834
C 4.111414 -0.264817 0.138686
C 4.291638 -2.417683 -1.093575
C -3.266497 0.964686 -0.352008
C -3.366911 -1.454814 -0.258996
C 3.987357 1.862247 1.380376
C -5.296370 -0.136655 0.393203
C -4.578452 1.040569 0.109526
C -4.681028 -1.386110 0.203717
C -6.700883 -0.046682 0.885232
H -0.488441 -0.248954 1.233388
H 4.175775 -3.399186 -0.603401
H 5.361096 -2.124023 -0.999787
H 4.069913 -2.497611 -2.170407
H -2.714858 1.885147 -0.582928
H -2.897150 -2.432176 -0.415380
H 4.930438 1.561954 1.868750
H 3.325853 2.340131 2.128555
H 4.217246 2.600820 0.593554
H -5.050535 2.012060 0.247804
H -5.229781 -2.302428 0.413856
H 0.458256 -2.759159 -1.009065
H 1.968960 -3.221280 -1.625509
H -6.772307 0.573763 1.791780
H -7.358024 0.414270 0.131077
H -7.135709 -1.024720 1.132419


%chk=000256891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256891

0 1
S -1.001523 -0.635179 1.355345
O 0.005636 0.063531 0.215333
O -1.006364 -2.454660 1.173909
O 2.719222 1.377041 2.446157
O 4.160839 0.239400 -1.839422
N 2.957097 -1.367050 -0.633895
N 1.726174 -1.254043 2.804291
N 3.413818 0.830462 0.281540
N 1.457016 -2.858646 0.521690
C 2.197397 -0.844875 1.655720
C 2.180653 -1.762179 0.473382
C 2.778156 0.545459 1.499093
C -2.700945 -0.412353 0.583076
C 3.544887 -0.083300 -0.789544
C 3.038071 -2.274810 -1.799031
C -2.839279 0.533479 -0.445161
C -3.785551 -1.173630 1.059644
C 3.994235 2.179331 0.067270
C -5.242054 -0.013769 -0.560500
C -4.119304 0.725836 -1.012930
C -5.054117 -0.966934 0.477519
C -6.615524 0.195500 -1.172931
H 1.798229 -0.486488 3.513224
H 3.429734 -3.258982 -1.487584
H 3.722754 -1.824021 -2.530206
H 2.044425 -2.394416 -2.268544
H -1.957659 1.078055 -0.800739
H -3.639323 -1.929749 1.837212
H 5.066616 2.094572 -0.168495
H 3.845159 2.750235 0.994510
H 3.485761 2.675376 -0.774801
H -4.244786 1.457946 -1.819091
H -5.908156 -1.557327 0.830589
H 0.024474 -2.743503 1.151127
H 1.472528 -3.449834 -0.325901
H -7.351891 0.507866 -0.409005
H -6.595881 0.969650 -1.958509
H -6.996625 -0.738087 -1.627547


