%chk=000213138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213138

0 1
S 3.648108 1.198229 1.336733
O -5.910053 -2.133025 0.306524
O -1.551070 3.078955 -2.457297
N -3.808225 -0.364057 -0.356104
N -2.708126 0.331695 -0.645820
C -3.545409 -1.552912 0.518952
C -4.940936 -0.570276 -1.314334
C -4.849807 -1.897459 1.254192
C -6.186250 -0.980052 -0.511697
C -2.638150 1.186417 -1.633368
C -0.207977 1.806512 -0.986154
C -1.461502 2.098369 -1.743673
C 0.286765 0.504605 -0.842259
C 0.500219 2.890130 -0.436883
C 2.161253 1.362605 0.405564
C 1.478071 0.278344 -0.144047
C 1.684720 2.672266 0.266411
C 4.184050 -0.464362 1.088893
C 4.129246 -1.345225 2.170434
C 4.725748 -0.848616 -0.139721
C 4.634994 -2.641167 2.016521
C 5.222816 -2.147786 -0.285823
C 5.178655 -3.040920 0.791074
H -2.736076 -1.308872 1.245116
H -3.199508 -2.421501 -0.084453
H -4.690147 -1.351514 -2.065744
H -5.141855 0.371644 -1.871029
H -4.782748 -2.865361 1.783629
H -5.154528 -1.098947 1.954146
H -6.549882 -0.157132 0.129656
H -6.998821 -1.343240 -1.167355
H -3.393615 1.372161 -2.406045
H -0.253018 -0.338668 -1.274385
H 0.118402 3.905217 -0.572539
H 1.853619 -0.738753 -0.035594
H 2.227541 3.516893 0.691897
H 3.701353 -1.033252 3.124264
H 4.765339 -0.148242 -0.975361
H 4.604042 -3.338043 2.852602
H 5.648507 -2.462181 -1.237583
H 5.570654 -4.050677 0.674558


%chk=000213138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213138

0 1
S 4.192703 1.430136 0.778186
O -6.018068 -2.431755 -0.284270
O -1.798171 3.437845 -1.820164
N -3.836893 -0.582861 -0.528077
N -2.716000 0.185525 -0.630906
C -3.579856 -2.018562 -0.281135
C -5.150906 -0.247225 -1.132350
C -4.766929 -2.652627 0.460985
C -6.276779 -0.990124 -0.381816
C -2.752144 1.405882 -1.153171
C -0.207424 1.992894 -0.729682
C -1.582282 2.310491 -1.246336
C 0.150772 0.800481 -0.041546
C 0.801044 2.974288 -0.948981
C 2.459551 1.578532 0.176036
C 1.469399 0.597041 0.413271
C 2.120256 2.773615 -0.509310
C 4.417404 -0.392672 0.960049
C 4.810299 -0.901567 2.219209
C 4.288077 -1.255059 -0.154872
C 5.077954 -2.283929 2.362182
C 4.539358 -2.636640 0.000081
C 4.939306 -3.153390 1.256229
H -2.651675 -2.095010 0.309031
H -3.426526 -2.545767 -1.246957
H -5.153642 -0.517604 -2.210099
H -5.332096 0.838938 -1.047737
H -4.646722 -3.745498 0.528845
H -4.856747 -2.222851 1.481848
H -6.389253 -0.559031 0.636358
H -7.228343 -0.891855 -0.928616
H -3.656691 1.867442 -1.582441
H -0.612674 0.041236 0.138845
H 0.518860 3.889416 -1.479874
H 1.724284 -0.321334 0.951806
H 2.886360 3.532525 -0.702382
H 4.899563 -0.225265 3.075458
H 3.995255 -0.848766 -1.128545
H 5.386231 -2.676792 3.337271
H 4.436244 -3.304502 -0.862277
H 5.143302 -4.223802 1.369751


