%chk=000293063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293063

0 1
S 3.720597 -0.015406 0.635700
O 3.812566 1.408591 0.451104
O 4.506718 -0.721783 1.615963
O -4.656949 -1.899454 0.733694
N -2.752998 1.541865 -0.846670
N 2.103263 -0.437492 1.076779
N 3.977071 -0.751838 -0.890296
C -1.488661 -0.021621 0.286489
C -1.431377 1.226203 -0.429486
C -2.871423 -0.442893 0.290279
C -3.609158 0.532586 -0.410490
C -0.297300 -0.557007 0.790052
C 0.902285 0.142824 0.585520
C -0.237595 1.930344 -0.618113
C 0.928914 1.385957 -0.104667
C -3.473242 -1.632464 0.883260
C -5.053290 0.590361 -0.697172
C -2.605700 -2.541652 1.709064
C 3.914882 -2.233259 -0.896097
C 3.277335 -0.118054 -2.033087
H -3.007504 2.366157 -1.358091
H -0.306922 -1.499788 1.327456
H -0.224212 2.882931 -1.143451
H 1.864488 1.949017 -0.196059
H 1.972787 -1.134458 1.823710
H -5.554388 -0.338267 -0.325742
H -5.552220 1.429742 -0.192049
H -5.276516 0.652723 -1.770844
H -2.184989 -2.012714 2.574331
H -1.774056 -2.950356 1.121954
H -3.189618 -3.391286 2.093500
H 4.521429 -2.634435 -0.060464
H 4.373786 -2.613563 -1.827154
H 2.894504 -2.643809 -0.829844
H 3.461617 0.974175 -2.019777
H 2.188834 -0.295612 -2.054008
H 3.702142 -0.497565 -2.979896


%chk=000293063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293063

0 1
S 3.791764 0.073614 0.393234
O 3.998636 1.527449 -0.288837
O 4.866908 -0.595096 1.402117
O -4.390767 -2.189205 0.384234
N -2.750441 1.642314 -0.678428
N 2.169532 0.295430 1.593219
N 3.719657 -1.119765 -1.086513
C -1.391927 0.146732 0.388764
C -1.453256 1.467474 -0.183618
C -2.720526 -0.457061 0.211677
C -3.522786 0.505150 -0.453148
C -0.156814 -0.272689 0.938642
C 0.946774 0.627936 0.962014
C -0.360425 2.361696 -0.196749
C 0.840507 1.940248 0.390524
C -3.201511 -1.793384 0.618744
C -4.956634 0.461756 -0.891974
C -2.238295 -2.730020 1.345757
C 3.504208 -2.519468 -0.675003
C 2.918740 -0.617499 -2.220862
H -3.093930 2.485093 -1.138156
H -0.031966 -1.271454 1.368210
H -0.444938 3.361937 -0.634664
H 1.714325 2.595981 0.433350
H 2.151737 -0.613375 2.097487
H -5.360304 -0.542537 -0.700556
H -5.567287 1.196429 -0.331707
H -5.055252 0.695949 -1.969364
H -1.863293 -2.268994 2.278309
H -1.365321 -2.969974 0.709993
H -2.770165 -3.661814 1.590986
H 4.078535 -2.716180 0.246210
H 3.915553 -3.167001 -1.472006
H 2.434807 -2.788026 -0.526448
H 3.052243 0.474454 -2.295516
H 1.837356 -0.862056 -2.153540
H 3.329655 -1.075344 -3.140984


