%chk=000253841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253841

0 1
S 4.853869 0.061863 -0.324216
O -4.500547 0.440015 0.164121
N 0.117501 1.503198 0.258719
N -2.545304 -0.089105 -0.970206
N 2.336453 2.103773 0.109590
N 0.397266 -0.978455 -0.051747
N 2.747374 -1.607960 -0.312854
N -3.984725 -1.800237 -0.111009
C -1.339736 1.643401 0.424618
C -2.110713 1.322770 -0.875726
C 0.832797 0.321193 0.058686
C 2.227230 0.714165 -0.025902
C 1.085840 2.556252 0.272902
C 3.164194 -0.327824 -0.216186
C -3.743334 -0.419670 -0.267126
C 1.393798 -1.877832 -0.228843
C 5.669446 -1.525123 -0.557567
C -5.350647 -2.215914 0.281960
H -1.567414 2.681971 0.756838
H -1.680737 0.971560 1.252560
H -3.015629 1.980613 -0.930693
H -1.492725 1.545551 -1.775540
H 0.800450 3.591595 0.409207
H -1.767092 -0.762070 -0.941001
H 1.109275 -2.939242 -0.317940
H -3.486891 -2.468006 -0.694637
H 6.749409 -1.343745 -0.627907
H 5.333077 -2.029668 -1.473917
H 5.478282 -2.212530 0.278298
H -5.281330 -3.103937 0.932205
H -5.989605 -2.448523 -0.584653
H -5.846828 -1.409078 0.859365


%chk=000253841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253841

0 1
S 4.895607 -0.037999 -0.297477
O -4.767086 0.296224 -0.278852
N 0.178291 1.688617 0.231418
N -2.456839 -0.045514 -0.518730
N 2.438320 2.156102 0.170778
N 0.296560 -0.778103 -0.151924
N 2.602448 -1.564687 -0.390530
N -3.876938 -1.867244 -0.118222
C -1.270966 1.961498 0.415233
C -2.181338 1.376664 -0.692021
C 0.828481 0.470158 0.014239
C 2.228740 0.781323 -0.019128
C 1.198427 2.653416 0.316181
C 3.113739 -0.308752 -0.232683
C -3.762641 -0.488519 -0.304311
C 1.246985 -1.737341 -0.346113
C 5.483942 -1.801361 -0.597074
C -5.175146 -2.502258 0.113868
H -1.372848 3.061468 0.432689
H -1.596585 1.567238 1.395159
H -3.159611 1.889348 -0.648017
H -1.730528 1.586963 -1.682902
H 0.970368 3.704327 0.485614
H -1.631448 -0.664260 -0.434489
H 0.888973 -2.761383 -0.483839
H -3.041607 -2.450259 -0.171156
H 6.581083 -1.732179 -0.655185
H 5.060496 -2.179322 -1.537434
H 5.171107 -2.444195 0.236819
H -5.206512 -3.026021 1.088536
H -5.427806 -3.223070 -0.687517
H -5.932662 -1.701876 0.118472


