%chk=000295882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295882

0 1
S 4.006437 -0.213626 0.121372
O -2.523168 -0.910866 1.266150
N -0.833597 1.159432 -0.413900
N 1.411764 0.485953 -0.024275
N 1.961245 -1.849686 0.401779
N -2.287678 -2.506340 -0.328872
C -0.353495 -1.157408 0.285251
C 0.070117 0.172388 0.001056
C -1.521562 1.969619 0.330002
C 0.641179 -2.137008 0.469957
C 2.286834 -0.536135 0.164197
C -2.446654 2.927144 -0.351585
C -1.487809 1.990444 1.823328
C -1.791742 -1.469891 0.461976
C 4.109772 1.545881 -0.239159
H 0.377399 -3.181495 0.688886
H -2.189798 3.968339 -0.108872
H -3.488173 2.755550 -0.038900
H -2.417685 2.833521 -1.450513
H -0.463777 2.035370 2.221022
H -1.938939 1.050565 2.216436
H -2.048851 2.820532 2.266938
H -1.778674 -2.871074 -1.115339
H -3.272807 -2.725104 -0.296817
H 5.168958 1.803855 -0.363273
H 3.684395 2.157150 0.568247
H 3.569410 1.811492 -1.159992


%chk=000295882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295882

0 1
S 4.030642 -0.212774 0.120551
O -2.700194 -0.775663 0.891818
N -0.838780 1.182042 -0.391243
N 1.379843 0.471470 -0.037783
N 1.940708 -1.881313 0.298225
N -2.234813 -2.751641 -0.231768
C -0.408283 -1.182369 0.172667
C 0.036550 0.173362 -0.032404
C -1.480666 2.038885 0.343629
C 0.607854 -2.156392 0.330982
C 2.249943 -0.557068 0.121953
C -2.404267 3.028714 -0.326450
C -1.404662 2.058030 1.859635
C -1.858522 -1.528421 0.304943
C 4.024117 1.642757 -0.181192
H 0.346419 -3.202502 0.531905
H -2.079903 4.064520 -0.111937
H -3.427254 2.920354 0.081220
H -2.425616 2.869671 -1.414663
H -0.397615 1.785566 2.218338
H -2.113622 1.293516 2.232783
H -1.688860 3.040830 2.269683
H -1.612285 -3.297206 -0.824816
H -3.204030 -3.048171 -0.119366
H 5.084547 1.932502 -0.248524
H 3.528309 2.155772 0.654311
H 3.493541 1.864130 -1.117398


