%chk=000286935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286935

0 1
S 0.095640 0.330982 0.996177
O -0.649936 -0.184829 -0.448106
O -0.484052 -0.428862 2.069331
O 0.067963 1.761353 0.991162
O 5.896371 0.347346 -1.387500
O 4.425530 1.929691 -1.539511
N 4.798274 0.830546 -1.171362
C -4.305181 -0.049084 0.043083
C 1.674415 -0.264247 0.624385
C -5.346123 -0.197713 1.120755
C -2.006926 -0.023076 -0.659288
C -2.945434 -0.179095 0.363949
C -4.690014 0.223685 -1.279966
C 2.566070 0.523984 -0.104268
C -2.367231 0.245318 -1.987812
C 2.044898 -1.545465 1.054780
C -3.726190 0.364288 -2.283061
C 3.838974 0.010334 -0.396968
C -5.625397 1.146614 1.791660
C 3.317253 -2.047271 0.758937
C 4.221133 -1.274092 0.030259
H -6.284930 -0.613482 0.700820
H -5.013428 -0.935533 1.880869
H -2.642817 -0.409161 1.387902
H -5.743926 0.330134 -1.525981
H 2.293001 1.536941 -0.445926
H -1.601610 0.353102 -2.750365
H 1.337512 -2.157904 1.632203
H -4.036772 0.573562 -3.307118
H -4.718212 1.559925 2.251512
H -6.380354 1.047628 2.579258
H -5.989557 1.888367 1.070519
H 3.602300 -3.045670 1.097250
H 5.223254 -1.651017 -0.213879


%chk=000286935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286935

0 1
S 0.297973 0.840022 0.943062
O -0.756471 -0.398886 -0.282071
O -0.129458 0.630688 2.499655
O 0.361106 2.327361 0.287238
O 5.915436 -0.544941 -1.922900
O 4.365304 1.001122 -2.567183
N 4.794575 0.076166 -1.779817
C -4.459722 -0.152271 -0.065068
C 1.941800 -0.031727 0.655483
C -5.612477 -0.614959 0.814162
C -2.053413 -0.004936 -0.562027
C -3.123074 -0.474288 0.253590
C -4.704090 0.657392 -1.211321
C 2.707470 0.365069 -0.447188
C -2.308817 0.823286 -1.692139
C 2.325631 -1.033760 1.562502
C -3.642640 1.138473 -2.015107
C 3.936211 -0.304726 -0.622558
C -6.046741 0.477211 1.829095
C 3.566250 -1.679225 1.349355
C 4.378010 -1.320867 0.252666
H -6.480500 -0.886308 0.182958
H -5.320653 -1.527074 1.367381
H -2.882954 -1.095506 1.123874
H -5.738486 0.912177 -1.473466
H 2.391668 1.157627 -1.131898
H -1.466558 1.185711 -2.289402
H 1.681704 -1.284670 2.411375
H -3.859683 1.760542 -2.889921
H -5.211071 0.746881 2.499338
H -6.888137 0.121331 2.450921
H -6.369472 1.397089 1.308472
H 3.895749 -2.461633 2.039212
H 5.340026 -1.805071 0.065430


