%chk=000213026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213026

0 1
S -0.646571 0.510263 1.470008
O 3.559084 0.410831 -1.275859
O 1.575483 0.597668 -0.129148
O 4.440309 -2.596034 1.355988
O 3.345385 0.080753 2.324842
O 6.199865 -0.997682 -0.971280
O 2.717421 -2.420161 -3.026717
O 1.733038 -2.030406 -1.054629
O 0.556070 0.238377 2.255915
O -1.885812 0.749902 2.171249
N -0.857598 -0.868235 0.436708
N -3.208478 -1.668938 0.447739
N 0.697158 4.881862 -2.248571
N -3.923613 -2.772342 0.829290
C 4.572402 -1.272425 0.823023
C 3.242422 -0.522846 1.042838
C 4.920398 -1.531314 -0.662008
C 3.016179 0.617301 0.021937
C 3.893244 -0.928853 -1.651194
C 2.652937 -1.809835 -1.802251
C 0.867463 1.754374 -0.358616
C -0.341882 1.760844 0.358329
C 1.264900 2.766038 -1.219694
C -1.229297 2.827544 0.135830
C 0.361436 3.843701 -1.404098
C -0.893842 3.858637 -0.725483
C -1.829684 -1.843751 0.741904
C -1.705637 -3.124665 1.289932
C -3.885197 -0.512542 -0.087712
C -3.026605 -3.666966 1.322484
C -3.308459 0.190000 -1.159162
C -5.119713 -0.116952 0.457297
C -3.973987 1.304695 -1.674173
C -5.770086 0.996527 -0.076928
C -5.200358 1.709521 -1.137803
H 5.408183 -0.749909 1.348119
H 2.372318 -1.235395 1.017358
H 5.063240 -2.633953 -0.829570
H 3.378785 1.620260 0.321658
H 4.372768 -0.761651 -2.657021
H 4.263381 -2.551057 2.326800
H 2.405736 0.227796 2.692033
H 6.209569 -0.016544 -0.874984
H 2.207684 2.707054 -1.753103
H -2.194011 2.838744 0.661928
H 1.949328 -3.035860 -3.198614
H -0.006343 -1.274906 -0.010527
H -1.585178 4.681317 -0.881950
H -0.810406 -3.600606 1.629662
H 1.568390 4.891305 -2.748684
H 0.073831 5.653398 -2.407099
H -3.323570 -4.639195 1.681055
H -2.357770 -0.131829 -1.585363
H -5.557704 -0.677539 1.286138
H -3.534477 1.854954 -2.504757
H -6.726788 1.310969 0.339499
H -5.715040 2.575858 -1.547667


%chk=000213026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213026

0 1
S -0.762124 0.940604 1.317745
O 3.649057 0.086087 -1.443933
O 1.577947 0.772033 -0.414032
O 4.686922 -2.025022 2.042309
O 3.002565 0.153925 2.224900
O 6.114905 -2.100555 -0.787942
O 2.783501 -3.038835 -2.905718
O 1.499690 -2.083192 -1.233857
O 0.367351 0.461060 2.435869
O -2.184385 1.453472 1.920410
N -1.116639 -0.512565 -0.244937
N -3.186746 -1.738663 0.256831
N 1.621846 5.440291 -1.973523
N -3.577921 -2.979094 0.731085
C 4.522278 -1.151001 0.894105
C 3.129152 -0.494519 0.934398
C 4.712710 -1.975618 -0.398257
C 3.017724 0.527172 -0.208312
C 3.878482 -1.365815 -1.590730
C 2.585199 -2.149939 -1.853245
C 1.098778 2.092972 -0.457568
C -0.080388 2.331745 0.279906
C 1.677763 3.120160 -1.219194
C -0.720262 3.581731 0.252266
C 1.061565 4.408645 -1.232672
C -0.146122 4.622673 -0.496273
C -1.771881 -1.639069 0.196564
C -1.273240 -2.893551 0.656238
C -4.211328 -0.793115 -0.106520
C -2.410099 -3.668625 0.962161
C -3.932892 0.297391 -0.966119
C -5.521789 -1.003231 0.389400
C -4.976174 1.178676 -1.318675
C -6.552095 -0.113090 0.026750
C -6.287015 0.982860 -0.827461
H 5.281379 -0.331073 0.918764
H 2.344598 -1.264147 0.801674
H 4.388610 -3.011443 -0.201781
H 3.505365 1.482357 0.059489
H 4.503875 -1.453866 -2.491359
H 4.295891 -1.527690 2.813682
H 2.011908 0.315125 2.403623
H 6.579094 -1.240420 -0.622489
H 2.570571 2.916757 -1.820599
H -1.643996 3.726377 0.822296
H 1.967026 -3.592702 -3.047223
H -0.111350 -0.711268 -0.446858
H -0.625138 5.607569 -0.516140
H -0.222343 -3.159633 0.740408
H 2.479014 5.302470 -2.501388
H 1.182970 6.356188 -2.004667
H -2.470647 -4.686959 1.340766
H -2.917769 0.450362 -1.337240
H -5.712015 -1.856821 1.043875
H -4.759718 2.022012 -1.983811
H -7.563008 -0.275321 0.416202
H -7.090354 1.674230 -1.104297


