%chk=000211378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211378

0 1
S 2.970858 -1.009568 -2.106815
P 3.408364 -0.431437 -0.352174
O 2.333711 -0.838666 0.848581
O 4.778123 -1.006596 0.324867
O 3.573991 1.172273 -0.077888
O -5.121859 0.746835 -0.345914
O -5.801854 -1.415106 -0.950677
N -3.795867 0.270904 -0.357076
N -7.150015 0.453821 -1.272906
C 1.019670 -0.393511 0.687009
C -1.639013 0.366816 0.619286
C 0.046714 -1.374709 0.461797
C 0.703072 0.959938 0.868439
C -1.291738 -0.982173 0.426900
C -0.639776 1.332552 0.830789
C -3.068941 0.775135 0.602154
C 4.982349 -2.460508 0.262574
C 4.282745 1.947710 -1.104422
C 6.359428 -2.628208 0.873588
C 4.127272 3.372232 -0.609210
C -3.538361 1.716313 1.665394
C -5.991408 -0.228892 -0.909625
H 0.337251 -2.413997 0.313830
H 1.490755 1.697762 1.036517
H -2.073466 -1.725204 0.240161
H -0.910160 2.380214 0.963593
H 4.194552 -2.951295 0.865761
H 4.947622 -2.800516 -0.791060
H 5.340672 1.623367 -1.118794
H 3.805994 1.794473 -2.092835
H 6.406031 -2.166642 1.871261
H 7.130365 -2.135056 0.265938
H 6.627512 -3.686081 0.974541
H 4.469276 3.466310 0.432231
H 3.076232 3.690418 -0.625205
H 4.705448 4.074175 -1.221363
H -3.033065 1.539119 2.625151
H -3.358934 2.762766 1.379078
H -4.623050 1.615624 1.840093
H -7.858384 -0.043335 -1.794092
H -7.152817 1.458044 -1.354978


%chk=000211378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211378

0 1
S 3.305073 -0.196046 -2.404926
P 3.526271 -0.156903 -0.356915
O 2.196024 -0.697071 0.635755
O 4.780048 -1.110476 0.332247
O 3.848039 1.358926 0.396605
O -5.546042 0.287129 0.090431
O -6.206805 -1.956141 0.639310
N -4.157929 -0.171659 0.254595
N -7.741299 -0.246452 0.148313
C 0.855515 -0.279332 0.431190
C -1.870070 0.437074 0.170558
C -0.144552 -1.260417 0.620583
C 0.517543 1.053388 0.116810
C -1.495903 -0.900309 0.497462
C -0.842413 1.400313 -0.016275
C -3.305847 0.816065 0.028020
C 4.982687 -2.509370 -0.160450
C 5.005246 2.162074 -0.114130
C 6.341506 -2.954322 0.370089
C 4.958940 3.489784 0.634267
C -3.676921 2.235846 -0.347491
C -6.483645 -0.785485 0.330665
H 0.151710 -2.285252 0.862169
H 1.303724 1.805249 -0.004857
H -2.283022 -1.645760 0.642482
H -1.093710 2.436372 -0.263039
H 4.160943 -3.134037 0.235255
H 4.945304 -2.509943 -1.267129
H 5.934711 1.601647 0.095972
H 4.892800 2.293262 -1.207715
H 6.364571 -2.907628 1.471774
H 7.147006 -2.313884 -0.027150
H 6.536867 -3.997550 0.060132
H 5.039536 3.326610 1.721984
H 4.016260 4.024579 0.428251
H 5.802010 4.128328 0.311651
H -3.308602 2.944944 0.416502
H -3.212451 2.513611 -1.311019
H -4.766047 2.348247 -0.434425
H -8.548182 -0.850846 0.273969
H -7.859594 0.730737 -0.107023


