%chk=000198609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198609

0 1
S -1.659638 -1.919870 -1.517040
S 4.709501 0.836539 -1.008332
P -1.847368 -0.893716 0.083269
O -0.500301 -0.968150 1.099139
O -2.949130 -1.400227 1.207545
C -2.256638 0.875901 -0.081506
C 0.699962 -0.540275 0.535526
C -2.754610 1.555537 1.032901
C -2.071999 1.517475 -1.306555
C 1.085268 0.792732 0.739611
C 1.521272 -1.475314 -0.109371
C -3.068137 2.913841 0.916873
C -2.385042 2.878501 -1.412676
C 3.169030 0.273870 -0.365829
C -2.881059 3.572166 -0.304312
C 2.342496 1.195626 0.283490
C 2.770708 -1.050844 -0.567905
C -2.920509 -2.822744 1.496484
C 5.905993 0.103469 0.134443
H -2.911274 1.047976 1.990355
H -1.692864 0.988682 -2.188659
H 0.421903 1.486171 1.252491
H 1.185375 -2.502193 -0.254008
H -3.459792 3.457794 1.774712
H -2.244224 3.394668 -2.361356
H 2.670336 2.226041 0.435008
H 3.424047 -1.755331 -1.086224
H -3.125561 4.631367 -0.391963
H -1.967688 -3.107463 1.960576
H -3.137317 -3.422636 0.601977
H -3.741427 -2.918215 2.222864
H 5.870185 -0.990511 0.116928
H 5.746837 0.443973 1.163057
H 6.906966 0.422361 -0.184712


%chk=000198609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198609

0 1
S -1.272028 -1.855673 -1.636565
S 5.268658 0.975750 0.062774
P -1.779324 -0.751910 0.035036
O -0.476521 -0.580790 1.257854
O -2.946675 -1.404256 1.131147
C -2.473609 0.936066 -0.222511
C 0.854210 -0.247946 0.899436
C -3.084268 1.614328 0.860262
C -2.367655 1.536487 -1.497322
C 1.319725 1.057960 1.180678
C 1.720918 -1.214890 0.345911
C -3.597719 2.912942 0.653620
C -2.880673 2.838219 -1.691009
C 3.544225 0.425924 0.361494
C -3.494108 3.525812 -0.618206
C 2.662477 1.390689 0.917675
C 3.065475 -0.874971 0.077040
C -2.737743 -2.785871 1.618714
C 6.060902 -0.555694 -0.675045
H -3.167813 1.125712 1.835612
H -1.898902 0.985822 -2.321032
H 0.632252 1.793402 1.610511
H 1.342919 -2.216799 0.123128
H -4.078860 3.444020 1.481806
H -2.803196 3.311157 -2.675598
H 3.024865 2.399787 1.143576
H 3.723121 -1.636171 -0.352893
H -3.893100 4.534489 -0.772681
H -1.864753 -2.823797 2.292839
H -2.598433 -3.480373 0.769640
H -3.660118 -3.032168 2.165125
H 5.564659 -0.836988 -1.617048
H 6.041568 -1.390384 0.043083
H 7.104828 -0.272683 -0.880251


