%chk=000195202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195202

0 1
S 3.323495 -1.128232 0.224652
S 3.285952 0.209471 -1.318662
O -2.451695 -1.167764 0.654088
O -1.571576 0.677337 1.652448
N 1.501945 1.368733 0.264763
N -2.976840 2.165613 -0.409791
N -2.963166 3.285516 -0.534981
C -0.432543 -2.463823 0.785421
C 0.720589 -1.664419 0.821652
C -1.662719 -2.037224 1.532515
C -0.438015 -3.649197 0.035151
C 1.850885 -2.070245 0.109900
C 0.703719 -4.041927 -0.670796
C 1.856030 -3.250294 -0.640112
C 2.267090 1.554696 -0.835243
C 2.264425 2.726755 -1.606187
C -2.252531 0.187721 0.773736
C 1.410320 3.757687 -1.202284
C 0.603857 3.590368 -0.070541
C 0.678469 2.382071 0.642115
C -2.998324 0.869456 -0.272908
H -2.375346 -2.860795 1.724132
H -1.433320 -1.503999 2.476261
H 0.723745 -0.723778 1.390091
H -1.336527 -4.264872 -0.005531
H 0.693160 -4.963246 -1.251070
H 2.743676 -3.553466 -1.197634
H 2.901642 2.834275 -2.480877
H 1.374113 4.689087 -1.767902
H -0.064745 4.382786 0.256790
H 0.062248 2.189806 1.535545
H -3.570712 0.234204 -0.963442


%chk=000195202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195202

0 1
S 3.297165 -1.173392 -0.392418
S 2.635242 0.293377 -2.027650
O -2.425891 -1.196422 0.371865
O -1.901707 0.698459 1.679100
N 1.147984 1.503566 -0.018491
N -3.209559 2.195511 -0.384832
N -3.288644 3.368429 -0.307006
C -0.432909 -2.622419 0.704520
C 0.652404 -1.750684 0.444001
C -1.695612 -2.083415 1.341130
C -0.317148 -3.997990 0.379933
C 1.830039 -2.256012 -0.149700
C 0.868039 -4.499704 -0.203845
C 1.945133 -3.628810 -0.483199
C 1.982456 1.726538 -1.062933
C 2.334850 3.024416 -1.514787
C -2.414903 0.176915 0.653873
C 1.757240 4.134789 -0.859645
C 0.882183 3.915927 0.230381
C 0.616589 2.584717 0.625455
C -3.097418 0.877569 -0.434207
H -2.413247 -2.886478 1.574061
H -1.483321 -1.484310 2.244357
H 0.592764 -0.678044 0.668455
H -1.155855 -4.676293 0.579107
H 0.950435 -5.562731 -0.454360
H 2.860464 -4.001923 -0.953999
H 3.043356 3.151875 -2.338038
H 2.001937 5.151179 -1.185649
H 0.420422 4.749729 0.767214
H -0.050764 2.352574 1.462485
H -3.494425 0.355357 -1.303879


