%chk=000213229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213229

0 1
S -0.095873 1.547226 -1.040159
S 4.201139 -2.887529 -0.461756
O -5.290712 -0.781232 0.425044
O 2.623774 2.261682 1.186274
O 0.937040 1.227146 2.255184
N 2.873650 -0.708324 0.416456
N 2.214326 -1.691389 -1.714085
C -1.601797 0.792919 -0.547566
C 1.068711 0.253196 -0.874272
C -1.875939 0.600004 0.807961
C -2.540026 0.463536 -1.537604
C -4.042837 -0.255296 0.204733
C 1.905632 0.228769 0.247721
C -3.107796 0.068252 1.198690
C -3.771901 -0.061418 -1.169509
C 1.256710 -0.742566 -1.852274
C 2.985970 -1.636949 -0.582971
C 1.730766 1.241902 1.346924
C -5.693918 -1.032161 1.794753
C 5.029482 -2.539563 1.095367
H -1.132574 0.858685 1.573633
H -2.310369 0.621084 -2.593680
H -3.319628 -0.083788 2.251913
H -4.527584 -0.325832 -1.905811
H 0.638552 -0.789931 -2.760946
H -5.032309 -1.771064 2.255972
H -6.704622 -1.439524 1.657970
H -5.721342 -0.096128 2.359932
H 5.820102 -3.289489 1.230836
H 4.343009 -2.591992 1.952440
H 5.486351 -1.539507 1.108932
H 2.524416 2.969280 1.885998


%chk=000213229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213229

0 1
S -0.098616 1.640613 -1.157353
S 4.174969 -3.022134 -0.355566
O -5.441154 -0.787681 0.398862
O 3.072198 2.154184 1.297292
O 1.024654 1.456377 2.146688
N 2.952435 -0.680479 0.402353
N 2.099756 -1.830926 -1.571478
C -1.696446 0.847224 -0.638155
C 1.084537 0.265261 -0.844976
C -1.938664 0.548002 0.719494
C -2.693604 0.610316 -1.615204
C -4.177854 -0.246738 0.129202
C 2.005578 0.289688 0.228552
C -3.177927 -0.009455 1.107469
C -3.934945 0.069185 -1.232186
C 1.182774 -0.842082 -1.729014
C 2.954964 -1.696989 -0.505896
C 1.947001 1.343398 1.309732
C -5.748788 -1.139974 1.788235
C 5.121482 -2.447361 1.165623
H -1.168196 0.751438 1.471078
H -2.499964 0.848724 -2.665938
H -3.349308 -0.241599 2.162595
H -4.723481 -0.121624 -1.966006
H 0.504955 -0.931655 -2.584256
H -5.052613 -1.911253 2.170885
H -6.771229 -1.543795 1.761048
H -5.716333 -0.249577 2.445568
H 5.908678 -3.201636 1.319728
H 4.445393 -2.402351 2.030391
H 5.556806 -1.455945 0.979861
H 3.023345 2.808842 2.047475


