%chk=000240365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240365

0 1
S 0.910893 -0.603410 0.719581
O 1.416842 -1.943859 0.579631
O 0.851565 0.049558 1.989610
O -0.398945 2.313507 -0.500676
O -2.229611 2.514398 0.640447
O 3.764581 0.002294 0.324878
N -1.416265 -1.786096 -0.272568
N 1.645236 0.447237 -0.430483
N -2.840977 -0.053582 -0.616097
N -1.418079 1.872651 0.024430
N 3.559209 1.558055 -1.361665
C -0.720435 -0.635875 0.070264
C -1.629600 0.419210 -0.146952
C -2.698191 -1.404362 -0.687713
C -0.944975 -3.170353 -0.193990
C 3.056216 0.645530 -0.426511
H -3.466215 -2.094072 -1.017958
H -1.189004 -3.617939 0.790155
H -1.395045 -3.791218 -0.987620
H 0.169643 -3.243279 -0.300176
H 1.059287 1.070769 -1.021728
H 2.976970 2.244210 -1.812028
H 4.541199 1.796124 -1.294031


%chk=000240365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240365

0 1
S 1.021434 -0.670786 0.704469
O 1.590782 -2.149773 0.389632
O 0.904187 -0.141843 2.225277
O -0.302087 2.320434 -0.124880
O -2.558538 2.605873 -0.039756
O 3.943052 -0.005258 0.327404
N -1.455258 -1.791630 -0.280154
N 1.760670 0.532732 -0.438766
N -2.936213 -0.092289 -0.608963
N -1.528401 1.859190 -0.124750
N 3.614321 1.669148 -1.276977
C -0.758511 -0.606991 -0.035961
C -1.704727 0.422749 -0.234969
C -2.757446 -1.423049 -0.628650
C -0.987683 -3.196725 -0.204175
C 3.187220 0.686943 -0.399269
H -3.518559 -2.153860 -0.890393
H -0.684206 -3.450055 0.822777
H -1.826282 -3.839888 -0.513564
H -0.123050 -3.350023 -0.864964
H 1.116937 1.355982 -0.502673
H 2.994488 2.139577 -1.933061
H 4.612171 1.869041 -1.298833


