%chk=000221326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221326

0 1
S 0.112175 2.300822 -0.836157
O -0.263549 2.841059 -2.126114
O 0.603537 3.180277 0.188708
O -4.312046 -1.431611 2.440735
O -5.381767 -1.165694 0.578385
N 1.758427 0.416655 -0.174976
N 1.312555 1.123262 -1.265434
N -4.423194 -0.989358 1.310237
C 4.430619 -2.758729 -0.336912
C 3.385984 -2.563975 0.769794
C 4.028095 -2.006525 -1.612268
C 3.155954 -1.075951 1.070200
C 3.806829 -0.511569 -1.334487
C 2.831608 -0.320742 -0.199159
C -1.199729 1.344112 -0.207265
C -1.123808 0.826318 1.087308
C -2.319139 1.110143 -1.010864
C -2.180227 0.060077 1.593277
C -3.382482 0.347616 -0.519154
C -3.295847 -0.169545 0.779983
H 5.420604 -2.407452 0.012443
H 4.549966 -3.836479 -0.557273
H 3.706898 -3.084209 1.692031
H 2.428447 -3.033911 0.469567
H 3.101311 -2.446571 -2.030983
H 4.806165 -2.130524 -2.388926
H 4.063291 -0.628086 1.526826
H 2.350590 -0.960816 1.824839
H 3.472001 -0.008547 -2.261981
H 4.770277 -0.030112 -1.061892
H 1.908285 1.238292 -2.099232
H -0.239373 1.012088 1.710707
H -2.369635 1.525869 -2.026741
H -2.140703 -0.355736 2.606002
H -4.269620 0.153252 -1.131921


%chk=000221326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221326

0 1
S 0.129841 2.446637 -0.641707
O -0.266012 3.188219 -2.034390
O 0.658601 3.264728 0.660684
O -4.659305 -1.301091 2.432639
O -5.410605 -1.410708 0.281734
N 1.887796 0.407995 -0.113743
N 1.350450 1.040098 -1.228064
N -4.572038 -1.015049 1.178131
C 4.478875 -2.846558 -0.431998
C 3.592544 -2.566829 0.803974
C 3.924336 -2.139723 -1.690401
C 3.441654 -1.039040 1.052282
C 3.774494 -0.603745 -1.466798
C 2.974995 -0.329682 -0.202189
C -1.309746 1.365086 -0.083242
C -1.408567 1.059598 1.283492
C -2.228073 0.940800 -1.057433
C -2.497520 0.267750 1.703209
C -3.316943 0.150523 -0.636430
C -3.424789 -0.173973 0.734270
H 5.511479 -2.491675 -0.233774
H 4.545606 -3.936051 -0.613946
H 4.021251 -3.045328 1.704430
H 2.588827 -3.009172 0.646530
H 2.932921 -2.563658 -1.944134
H 4.586537 -2.316456 -2.558674
H 4.431373 -0.630508 1.346509
H 2.736024 -0.830815 1.873968
H 3.310261 -0.145672 -2.359650
H 4.786638 -0.164205 -1.350717
H 2.006207 1.539987 -1.872024
H -0.665690 1.442055 1.989396
H -2.101014 1.234059 -2.103991
H -2.637173 -0.011090 2.750488
H -4.070739 -0.212808 -1.339130


