%chk=000244106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244106

0 1
S 3.427961 -2.750394 0.622520
S 2.862217 3.401239 0.237915
O -4.481201 0.544595 0.077015
N 0.799654 -1.234434 0.418959
N 1.805436 0.934182 0.343243
N 4.232866 1.161352 0.436491
C -0.553134 -0.753882 0.300769
C -3.206541 0.036410 0.084704
C -1.437079 -1.486335 -0.507441
C -1.000490 0.384725 1.005331
C 1.931834 -0.448189 0.416332
C -2.774959 -1.097185 -0.615786
C -2.324261 0.783347 0.897287
C 3.230532 -1.036084 0.490286
C -5.494010 -0.134660 -0.735070
C 4.346747 -0.188550 0.509489
C 2.953135 1.653535 0.349513
C -6.737516 0.698221 -0.496195
C 3.722815 -3.268000 -1.088208
C 1.098374 3.744027 0.128838
H 0.916305 -2.253796 0.462764
H -1.090316 -2.360373 -1.058001
H -0.304483 0.953066 1.627811
H -3.449943 -1.672806 -1.240049
H -2.700558 1.657370 1.426125
H -5.163564 -0.119810 -1.787657
H -5.595396 -1.170814 -0.369845
H 5.369392 -0.587047 0.582281
H -7.597197 0.301921 -1.048073
H -6.999924 0.726078 0.571101
H -6.584268 1.741910 -0.805799
H 4.658000 -2.853085 -1.479336
H 2.908126 -2.971380 -1.755239
H 3.802331 -4.362416 -1.094590
H 0.610376 3.158094 -0.664296
H 0.975852 4.810940 -0.095555
H 0.578087 3.513432 1.067068


%chk=000244106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244106

0 1
S 3.238839 -2.935251 0.371373
S 3.329376 3.413360 0.864099
O -4.589600 0.597402 -0.324935
N 0.807049 -1.030652 0.246650
N 2.018251 1.019787 0.531107
N 4.440187 0.983669 0.864165
C -0.535040 -0.581964 0.110571
C -3.272687 0.131173 -0.184663
C -1.535205 -1.578794 -0.029276
C -0.923223 0.786837 0.102777
C 1.990721 -0.349915 0.428771
C -2.894507 -1.235063 -0.175816
C -2.277835 1.130058 -0.044279
C 3.220591 -1.102327 0.518973
C -5.660679 -0.407099 -0.472199
C 4.401817 -0.380265 0.750118
C 3.229095 1.603443 0.734512
C -6.972523 0.361515 -0.605624
C 3.465472 -3.099615 -1.510331
C 1.525515 3.893768 0.655432
H 0.941472 -2.052134 0.248161
H -1.251811 -2.639305 -0.021137
H -0.156568 1.553003 0.215904
H -3.636186 -2.031956 -0.279187
H -2.589292 2.179330 -0.051515
H -5.464389 -1.027100 -1.371738
H -5.670940 -1.069475 0.418342
H 5.358047 -0.904631 0.850124
H -7.816160 -0.343137 -0.720681
H -7.153004 0.981145 0.289186
H -6.946804 1.024594 -1.487055
H 4.438114 -2.674410 -1.796768
H 2.648189 -2.583762 -2.036482
H 3.440727 -4.178373 -1.730583
H 1.162830 3.574555 -0.332226
H 1.504222 4.991799 0.737975
H 0.921138 3.434997 1.450961


