%chk=000117024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117024

0 1
S -0.246012 -2.468330 0.107154
O -2.291861 2.760173 0.414933
O -0.461687 -1.731539 1.409774
O 0.442843 -3.755916 0.248522
O 0.349978 -1.562414 -0.901944
O 4.998674 2.357700 -1.682698
N -3.045022 0.620792 0.625578
N 4.061221 0.756567 -0.354298
C -3.036440 -0.860057 0.731536
C -2.705549 -1.519548 -0.620814
C -4.183880 1.438835 0.369554
C -1.923678 1.427824 0.641115
C -1.926980 -2.815657 -0.446872
C -3.692733 2.767316 0.244273
C -5.549306 1.180800 0.239463
C -4.504277 3.864413 -0.005914
C -0.590181 1.070500 0.833976
C -6.376697 2.279028 -0.012248
C -5.869860 3.587557 -0.131709
C 0.524215 1.733335 0.404952
C 1.808486 1.115030 0.507990
C 2.873346 1.501810 -0.246358
C 4.168712 -0.546418 0.297607
C 5.109590 1.240290 -1.221326
C 3.295099 -1.578068 -0.071248
C 5.136951 -0.728674 1.297758
C 3.391307 -2.811647 0.579043
C 5.233547 -1.976662 1.918463
C 4.364930 -3.014732 1.562016
C 6.245510 0.312385 -1.486470
H -4.012540 -1.202322 1.127701
H -2.241836 -1.151190 1.506506
H -2.110422 -0.826703 -1.261663
H -3.639972 -1.713022 -1.183068
H -1.892942 -3.372114 -1.401470
H -2.423789 -3.503935 0.257416
H -5.949416 0.172500 0.328200
H -4.100036 4.870926 -0.096235
H -0.433957 0.018941 1.287752
H -7.451895 2.118632 -0.120680
H -6.562484 4.408957 -0.328188
H 0.444900 2.713036 -0.081300
H 1.856348 0.203709 1.128595
H 2.862949 2.426544 -0.853279
H 2.501335 -1.421398 -0.824006
H 5.786855 0.087826 1.600044
H 2.667361 -3.606800 0.331027
H 5.980371 -2.135939 2.694519
H 4.433174 -3.979568 2.062877
H 6.895016 0.186102 -0.606011
H 5.910411 -0.698189 -1.776156
H 6.875025 0.700612 -2.304290


%chk=000117024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117024

0 1
S -0.270727 -2.689867 0.091875
O -2.302444 2.782764 0.256047
O -0.298805 -1.887552 1.562715
O 0.368966 -4.195770 0.136234
O 0.291877 -1.708548 -1.121355
O 5.084301 2.609366 -1.373841
N -3.096588 0.688505 0.650610
N 4.108939 0.788449 -0.264374
C -3.090642 -0.788372 0.807199
C -2.788921 -1.515037 -0.536267
C -4.216499 1.499066 0.355217
C -1.948322 1.460241 0.585342
C -2.172478 -2.903336 -0.328178
C -3.718700 2.803845 0.116717
C -5.595233 1.231465 0.275143
C -4.530208 3.893620 -0.199356
C -0.634490 1.014027 0.771454
C -6.438235 2.323297 -0.044252
C -5.921261 3.625937 -0.275325
C 0.528874 1.700093 0.407057
C 1.778731 1.020296 0.489372
C 2.924242 1.502129 -0.124975
C 4.240158 -0.561496 0.284085
C 5.182076 1.406096 -1.015228
C 3.397324 -1.600285 -0.176905
C 5.176086 -0.787270 1.320996
C 3.496816 -2.882246 0.412834
C 5.290167 -2.078672 1.880466
C 4.451142 -3.124666 1.427837
C 6.370125 0.530738 -1.359113
H -4.072332 -1.084109 1.215365
H -2.308451 -1.063021 1.540778
H -2.061669 -0.923484 -1.129082
H -3.710084 -1.600221 -1.144277
H -2.159824 -3.505659 -1.249373
H -2.572529 -3.483600 0.518573
H -6.003576 0.231945 0.447993
H -4.116244 4.888911 -0.377025
H -0.513849 -0.030796 1.122217
H -7.517833 2.157679 -0.115636
H -6.608498 4.441912 -0.518630
H 0.479481 2.708938 -0.028073
H 1.768490 0.024614 0.945259
H 2.955423 2.486546 -0.606920
H 2.623511 -1.419901 -0.933466
H 5.787250 0.040193 1.699084
H 2.792944 -3.663244 0.103055
H 6.013332 -2.259106 2.683375
H 4.520216 -4.118398 1.883284
H 7.044729 0.415273 -0.492234
H 6.060824 -0.482255 -1.665673
H 6.927121 1.022262 -2.170523


