%chk=000191062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191062

0 1
S 2.166175 -1.441937 1.445132
O 3.107291 -2.359797 -1.704079
O 2.264720 -0.357534 2.454532
O 2.069334 1.899047 -1.544826
O -1.019973 2.415326 1.677574
N 1.931827 -0.448347 -1.048994
N -0.745893 0.991104 -0.088335
C 1.058945 -0.802402 0.110569
C 3.718421 -1.373281 0.391427
C 3.262326 -1.090346 -1.064034
C 0.632690 0.687395 0.237984
C 1.649671 0.976408 -0.925563
C 4.585324 -0.239023 0.900162
C 4.375269 -2.730399 0.542619
C -1.503900 1.873922 0.704971
C -2.922929 2.115170 0.224120
C -3.659221 0.861331 -0.146986
C -4.010408 0.614349 -1.481967
C -4.000133 -0.067922 0.848543
C -4.701292 -0.554382 -1.816061
C -4.688614 -1.233975 0.507082
C -5.040198 -1.479953 -0.824782
H 0.268733 -1.534699 -0.119530
H 3.986385 -0.479115 -1.654092
H 0.941303 1.173979 1.211013
H 4.127107 0.749665 0.755838
H 4.767954 -0.318568 1.985386
H 5.569152 -0.223691 0.414240
H 5.295397 -2.789605 -0.058667
H 4.655228 -2.948567 1.580336
H 3.730664 -3.545059 0.175382
H -1.154850 0.512753 -0.887791
H 2.571448 -2.271267 -2.525477
H -3.472565 2.652079 1.035688
H -2.897481 2.843858 -0.616342
H -3.756804 1.332244 -2.259619
H -3.728954 0.121359 1.887101
H -4.977852 -0.741558 -2.853044
H -4.954541 -1.952643 1.281773
H -5.579354 -2.388321 -1.087283


%chk=000191062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191062

0 1
S 2.630747 -1.000501 1.910123
O 2.788544 -3.138696 -0.820694
O 2.846636 0.622658 2.262477
O 1.372122 0.999132 -2.071545
O -0.786599 2.499880 1.804889
N 1.712980 -1.005246 -0.711677
N -0.894604 0.648221 0.392790
C 1.108775 -0.991279 0.632111
C 3.959556 -1.275664 0.242335
C 2.994343 -1.698103 -0.900539
C 0.528348 0.429667 0.354486
C 1.237859 0.307632 -1.051760
C 4.545665 0.112605 0.036600
C 4.945021 -2.353535 0.689994
C -1.466427 1.703159 1.100903
C -3.001890 1.842232 0.986320
C -3.713728 0.871918 0.058902
C -3.726201 1.090706 -1.345556
C -4.368156 -0.279388 0.570491
C -4.375116 0.184214 -2.213777
C -5.018998 -1.188123 -0.295299
C -5.024089 -0.959156 -1.690901
H 0.452610 -1.829467 0.902017
H 3.407729 -1.393985 -1.883323
H 1.037341 1.187371 0.993234
H 4.168545 0.604532 -0.877468
H 4.255885 0.773976 0.893709
H 5.647339 0.072995 -0.008385
H 5.635672 -2.593790 -0.141778
H 5.551912 -1.991375 1.538373
H 4.436889 -3.287670 0.976128
H -1.510041 0.078176 -0.193848
H 2.151107 -3.410718 -1.529380
H -3.389090 1.760484 2.018604
H -3.178071 2.889223 0.677475
H -3.231019 1.978908 -1.757050
H -4.373999 -0.458587 1.652724
H -4.378835 0.372118 -3.293167
H -5.525681 -2.067409 0.118026
H -5.532678 -1.659520 -2.362563


