%chk=000215559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215559

0 1
S 0.401398 0.782512 1.570353
P 1.088036 0.010058 -0.251505
O 1.714111 -1.418578 0.266729
O 2.400344 0.896524 -0.649171
O 0.080877 -0.007577 -1.337014
O -2.924533 0.999660 1.902235
N -2.505289 0.666069 -0.325062
C -0.898033 1.941187 1.035806
C 0.957650 -2.624161 -0.055932
C 3.531752 0.996825 0.259941
C -2.186590 1.141709 0.940294
C -3.660080 -0.251670 -0.504984
C -0.208005 -2.809039 0.893533
C 4.348578 -0.278576 0.276865
C -3.192454 -1.649488 -0.901766
H -0.653044 2.507165 0.118476
H -0.996249 2.700137 1.846043
H 1.744351 -3.393353 0.094499
H 0.650096 -2.611818 -1.119375
H 3.194564 1.308196 1.266113
H 4.082095 1.836909 -0.217398
H -4.318823 0.180177 -1.292277
H -4.257645 -0.287610 0.438537
H -1.803405 0.645601 -1.081973
H -0.462382 -3.869984 1.009695
H 0.022167 -2.426161 1.899950
H -1.128331 -2.294405 0.555637
H 5.319246 -0.122110 0.762568
H 3.844398 -1.099719 0.812379
H 4.542992 -0.642604 -0.742110
H -2.666456 -1.645476 -1.865558
H -2.491253 -2.065326 -0.156605
H -4.037885 -2.340474 -0.985427


%chk=000215559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215559

0 1
S 0.299893 0.583495 1.675803
P 1.173606 -0.124153 -0.338990
O 1.862817 -1.664924 0.022306
O 2.547902 0.841152 -0.690453
O 0.115835 -0.087904 -1.533140
O -3.279554 1.543780 1.516264
N -2.459354 0.563216 -0.446538
C -0.925986 1.876357 0.954509
C 1.064572 -2.902623 -0.277088
C 3.570407 1.175084 0.351880
C -2.329474 1.304226 0.704491
C -3.731376 -0.084157 -0.808073
C 0.074068 -3.228704 0.841433
C 4.622600 0.075184 0.495660
C -3.786814 -1.567085 -0.377520
H -0.471288 2.301527 0.044079
H -0.991905 2.646156 1.737481
H 1.847924 -3.672452 -0.369204
H 0.562060 -2.772856 -1.253388
H 3.051377 1.385689 1.307860
H 4.005095 2.111822 -0.034069
H -3.868204 0.002171 -1.902082
H -4.539055 0.480905 -0.312046
H -1.614805 0.362407 -1.012557
H -0.409944 -4.200673 0.629118
H 0.590229 -3.306738 1.813314
H -0.716125 -2.462761 0.926801
H 5.396978 0.404465 1.214220
H 4.175335 -0.863621 0.862911
H 5.111740 -0.125411 -0.472472
H -2.973627 -2.149689 -0.848920
H -3.691806 -1.651609 0.719224
H -4.750923 -2.017675 -0.677318


