%chk=000260209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260209

0 1
S 3.730038 0.605802 0.539820
O -0.687304 0.854381 0.842460
O 2.962831 1.850526 0.850183
O -0.907243 1.930350 -1.183109
N 0.311669 2.860244 0.611225
C 0.396277 -0.995940 -1.146217
C 1.552466 -0.869428 -0.137990
C -0.924596 -1.203255 -0.462988
C 2.789997 -0.248085 -0.774720
C -1.456033 -0.241648 0.420128
C -1.693510 -2.347293 -0.704068
C -2.948345 -2.520977 -0.094767
C -2.705158 -0.383907 1.029076
C -3.449846 -1.535880 0.769869
C -3.744545 -3.752531 -0.383910
C 5.156066 1.118358 -0.455799
C -0.437665 1.901990 -0.067241
C 1.001248 3.879522 -0.221018
H 0.318642 -0.069906 -1.765919
H 0.607192 -1.811625 -1.864006
H 1.202255 -0.254948 0.726253
H 1.785769 -1.865395 0.285204
H 3.421730 -1.010348 -1.257276
H 2.505177 0.463227 -1.573012
H -1.316677 -3.114211 -1.378467
H -3.074800 0.394911 1.694400
H -4.423747 -1.662223 1.238442
H -3.144089 -4.663476 -0.254878
H -4.622688 -3.852054 0.267155
H -4.111821 -3.746803 -1.420929
H 5.763008 0.255365 -0.737073
H 5.786981 1.797511 0.130788
H 4.884251 1.660317 -1.365966
H 0.888836 2.524142 1.400635
H 0.946846 4.845566 0.310327
H 0.512961 3.999971 -1.203406
H 2.066228 3.619751 -0.373504


%chk=000260209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260209

0 1
S 3.955382 0.336120 0.742359
O -0.582103 0.850420 0.832079
O 2.929608 1.486626 1.424523
O -1.410551 2.300166 -0.860958
N 0.692220 2.619094 0.167189
C 0.424948 -1.005243 -1.129870
C 1.602874 -1.025679 -0.107670
C -0.927675 -1.204932 -0.462328
C 2.886814 -0.440358 -0.704356
C -1.419139 -0.243740 0.462775
C -1.736716 -2.332720 -0.728397
C -2.998968 -2.522438 -0.106433
C -2.662479 -0.401300 1.095308
C -3.448320 -1.540827 0.810745
C -3.848087 -3.739667 -0.432541
C 5.117147 1.376839 -0.370577
C -0.498303 1.987870 -0.056516
C 0.992764 3.907518 -0.462756
H 0.430167 -0.024870 -1.648125
H 0.577839 -1.775948 -1.908475
H 1.299754 -0.407280 0.757236
H 1.769570 -2.055380 0.257972
H 3.547559 -1.172476 -1.199673
H 2.682189 0.415658 -1.371237
H -1.373213 -3.085215 -1.440967
H -3.000935 0.364874 1.799158
H -4.419362 -1.663990 1.304304
H -3.257266 -4.672891 -0.381296
H -4.696743 -3.838150 0.266120
H -4.265720 -3.674309 -1.455735
H 5.705128 0.704734 -1.014967
H 5.766405 1.942641 0.312417
H 4.477795 2.054985 -0.955219
H 1.429698 2.158492 0.747362
H 1.172905 4.686384 0.301013
H 0.135945 4.208459 -1.086697
H 1.891270 3.838531 -1.106063


