%chk=000207358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207358

0 1
S 0.039290 0.326787 1.970451
S -1.607139 -0.634080 1.121971
O 2.290868 -2.625665 0.514747
O -0.227446 -1.505470 -2.005878
O 0.109959 3.206972 0.061475
O -3.483032 -1.147465 -0.169382
O -4.846337 0.649306 0.057731
N 0.939556 -0.177060 -0.534948
N -1.300659 1.502259 -0.580297
C 0.869700 0.920388 0.438970
C 2.344072 -0.538224 -0.866841
C 2.305947 1.368083 0.718925
C -1.490058 0.065033 -0.607720
C 3.166482 0.308471 0.093354
C -0.217191 -0.637742 -1.161722
C -0.105751 2.020367 -0.027039
C 2.693616 -2.048688 -0.732411
C -2.763613 -0.489610 -1.247969
C 4.449304 0.002414 0.329756
C 4.203373 -2.191353 -0.735563
C -2.424962 2.427442 -0.854730
C 5.004469 -1.227708 -0.252141
C -4.527494 -0.444949 0.448393
C -5.082688 -1.290475 1.530878
H 2.558676 -0.232964 -1.929475
H 2.517124 1.481052 1.803402
H 2.498492 2.375064 0.280113
H 2.199322 -2.623968 -1.550206
H -2.546255 -1.330024 -1.949494
H -3.399756 0.263967 -1.747065
H 5.094809 0.588172 0.978821
H 4.576680 -3.144916 -1.099393
H -2.145339 3.455759 -0.546666
H -3.336655 2.145685 -0.290349
H -2.651738 2.449563 -1.932859
H 6.089107 -1.330375 -0.235821
H 1.352668 -2.411718 0.711930
H -4.670711 -2.315102 1.526951
H -6.179934 -1.365413 1.451878
H -4.857654 -0.854714 2.520923


%chk=000207358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207358

0 1
S 0.428941 0.581557 2.123087
S -1.406236 -0.627654 1.451208
O 2.009729 -2.590753 0.496478
O -0.191208 -1.624046 -1.772473
O 0.156399 3.377200 -0.078756
O -3.512116 -1.220903 -0.138519
O -5.065204 0.524973 -0.057366
N 1.034651 -0.027353 -0.597372
N -1.275619 1.545818 -0.453839
C 1.007618 1.105803 0.311093
C 2.403052 -0.509868 -0.908423
C 2.464788 1.606441 0.393799
C -1.397529 0.100215 -0.438882
C 3.266976 0.396759 -0.046982
C -0.136877 -0.604988 -1.018229
C -0.046846 2.132775 -0.098827
C 2.648002 -2.039970 -0.706874
C -2.672087 -0.472942 -1.105564
C 4.534486 0.014550 0.263842
C 4.140620 -2.290312 -0.573338
C -2.450885 2.440391 -0.586192
C 5.004950 -1.323870 -0.135838
C -4.689242 -0.599183 0.335327
C -5.366399 -1.487285 1.348354
H 2.615979 -0.319797 -1.984720
H 2.731740 1.962219 1.402025
H 2.565030 2.473015 -0.290172
H 2.249631 -2.552181 -1.603505
H -2.355809 -1.229978 -1.839327
H -3.275747 0.318122 -1.575452
H 5.192455 0.652919 0.864075
H 4.482942 -3.315814 -0.747702
H -2.136726 3.438885 -0.246279
H -3.289393 2.076326 0.027634
H -2.779310 2.518704 -1.637662
H 6.065514 -1.564834 0.001947
H 1.047897 -2.746210 0.302945
H -5.444244 -2.518974 0.968093
H -6.363327 -1.089601 1.585263
H -4.757495 -1.521054 2.269822


