%chk=000284704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284704

0 1
S -2.809687 0.837168 0.403232
O 1.727430 1.460121 0.971788
O -0.579173 3.644553 0.367119
O 1.482833 4.322300 -0.895938
O 4.117391 0.485865 -0.046339
O -0.482965 -4.484553 -0.313572
N -0.150343 0.112139 0.505441
N -1.605475 -1.620813 0.064207
N 1.972810 -1.260540 0.533448
N 1.612731 -3.614090 0.019485
N 3.793090 -2.806229 0.527902
C 0.302756 1.482575 0.834836
C -0.054841 2.492642 -0.293698
C 1.300472 2.923102 -0.925236
C 2.392304 2.224460 -0.075784
C 3.275091 1.277086 -0.896131
C 0.602496 -1.069903 0.409178
C -1.508207 -0.310029 0.301416
C -0.303944 -2.122642 0.118291
C 0.176555 -3.507102 -0.076236
C 2.412948 -2.613615 0.325461
C -4.206044 -0.085222 -0.334761
C -5.407563 0.703848 0.051077
C -6.053918 1.511690 -0.788774
H -0.087520 1.790189 1.841187
H -0.768493 2.098292 -1.045776
H 1.363796 2.671415 -2.007735
H 2.998222 2.965639 0.495844
H 3.907040 1.841045 -1.609453
H 2.691655 0.508543 -1.443677
H -1.500235 3.826753 0.063781
H 1.011668 4.727198 -0.110579
H 2.597596 -0.492478 0.836478
H 4.658050 1.060908 0.539872
H -4.063169 -0.184355 -1.428394
H -4.235494 -1.124232 0.066704
H 4.139183 -3.728715 0.266687
H 4.412442 -2.049661 0.254379
H -5.737738 0.567955 1.085869
H -6.933861 2.073603 -0.505405
H -5.765688 1.670587 -1.818597


%chk=000284704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284704

0 1
S -2.826801 1.213507 0.413566
O 1.766612 1.498732 1.027593
O -0.650515 3.210896 -1.090474
O 1.452696 4.429202 -0.093266
O 4.203975 0.381861 0.317759
O -0.893253 -4.360661 -0.111701
N -0.171058 0.232502 0.484139
N -1.759506 -1.388663 0.191357
N 1.848973 -1.262365 0.399564
N 1.334903 -3.604297 0.008038
N 3.559132 -2.852236 0.155621
C 0.388256 1.593553 0.546319
C 0.456245 2.302319 -0.844176
C 1.747401 3.163770 -0.746222
C 2.665420 2.341507 0.178225
C 3.651213 1.423348 -0.572693
C 0.496974 -0.991534 0.365833
C -1.547894 -0.086714 0.363342
C -0.479873 -1.984702 0.185698
C -0.085865 -3.400350 0.022560
C 2.198339 -2.611694 0.181764
C -4.249632 0.230944 -0.466451
C -5.536587 0.445104 0.269357
C -6.616145 1.072330 -0.265123
H -0.217078 2.193954 1.253543
H 0.541047 1.539650 -1.643824
H 2.194919 3.333920 -1.746741
H 3.198318 3.020498 0.867905
H 4.465488 2.028562 -1.017403
H 3.151941 0.853399 -1.373924
H -1.520327 2.751769 -0.896558
H 0.520107 4.670158 -0.356651
H 2.562716 -0.548772 0.621752
H 4.656506 0.802983 1.091468
H -4.283399 0.582186 -1.508776
H -3.882412 -0.810644 -0.413755
H 3.850232 -3.815540 0.013068
H 4.235996 -2.090432 0.156218
H -5.583007 0.035846 1.287240
H -7.553591 1.170170 0.292449
H -6.596267 1.491429 -1.279042


