%chk=000225210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225210

0 1
S 4.032511 0.793459 0.000574
O -1.478783 2.652083 0.000926
O -2.961275 -1.726308 -0.000056
N -0.680388 -1.424058 0.000346
N -2.223598 0.469541 0.000615
N 1.392971 1.500027 0.000800
N 1.745590 -0.770977 0.000277
C 0.127286 0.882549 0.000712
C 0.374740 -0.518662 0.000389
C -1.189838 1.473143 0.000934
C -2.030571 -0.943776 0.000277
C 2.323304 0.474586 0.000540
C -0.417361 -2.883209 -0.000479
C -3.643432 0.920076 0.000572
C 4.751583 -0.854939 0.001153
H 1.538080 2.496322 0.000921
H -1.373489 -3.442054 0.000681
H 0.163873 -3.167109 0.894797
H 0.161403 -3.166633 -0.897488
H -3.688019 2.026037 0.000529
H -4.167029 0.541508 0.895388
H -4.167016 0.541429 -0.894219
H 4.449461 -1.435254 -0.883481
H 4.449769 -1.434504 0.886374
H 5.844928 -0.750478 0.000918


%chk=000225210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225210

0 1
S 4.082675 0.826369 0.001056
O -1.495357 2.721962 0.000979
O -2.972819 -1.767908 -0.000065
N -0.653501 -1.397510 0.000134
N -2.216350 0.450910 0.000388
N 1.374253 1.520420 0.001009
N 1.735562 -0.731252 0.000429
C 0.108743 0.911710 0.000637
C 0.369489 -0.464335 0.000395
C -1.206910 1.484688 0.000588
C -2.003107 -0.956277 0.000106
C 2.313176 0.500639 0.000816
C -0.359582 -2.842658 -0.000182
C -3.634844 0.876921 0.000471
C 4.698560 -0.950413 0.000843
H 1.539224 2.526971 0.001309
H -1.321621 -3.375223 0.000767
H 0.225055 -3.111098 0.895724
H 0.223184 -3.111197 -0.897295
H -3.645172 1.976711 0.000543
H -4.148069 0.484407 0.893498
H -4.148129 0.484501 -0.892560
H 4.336634 -1.463922 -0.899943
H 4.336625 -1.464156 0.901492
H 5.796984 -0.877463 0.000861


