%chk=000261496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261496

0 1
S 0.542022 2.482300 0.025517
O 1.286119 2.701240 -1.467162
O 1.565424 2.741576 0.987263
O -0.676459 3.216439 -0.055520
O -4.601608 0.378458 0.050802
N 0.244583 0.806836 -0.048632
N 3.287464 -1.436411 -0.110626
C 1.227798 -0.243357 -0.045807
C 0.495820 -1.530586 0.044546
C -1.062834 0.182820 0.010522
C -0.854723 -1.273313 0.072114
C 2.596870 -0.202939 -0.143623
C 1.264161 -2.732210 0.074731
C -2.273496 0.770626 0.008045
C -2.024635 -2.112620 0.143120
C 2.627564 -2.659778 0.001188
C 3.446058 1.003032 -0.287894
C -3.475751 -0.085562 0.065507
C -3.252606 -1.557723 0.140421
H 0.747027 -3.686981 0.156528
H -2.456654 1.845069 -0.032225
H -1.871179 -3.190069 0.196589
H 4.303645 -1.419815 -0.165955
H 3.265226 -3.551144 0.023188
H 3.353203 1.675441 0.595833
H 3.146981 1.611417 -1.166565
H 4.517380 0.799633 -0.406522
H -4.164822 -2.149248 0.192142
H 0.727421 3.085268 -2.168528


%chk=000261496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261496

0 1
S 1.662832 3.056365 -2.329618
O 1.588136 1.152904 -2.271981
O 2.939873 3.047825 -1.044206
O 2.449020 3.501806 -3.647642
O -4.798599 -0.305186 1.781590
N 0.041793 0.482941 1.381932
N 3.057616 -0.842796 -0.283027
C 0.913898 -0.226809 0.655445
C 0.297340 -1.366991 -0.089494
C -1.221332 -0.173686 1.145938
C -1.071484 -1.317201 0.239865
C 2.352470 0.044198 0.556064
C 1.123870 -2.185350 -0.911756
C -2.443859 0.182616 1.670420
C -2.223910 -2.102824 -0.118429
C 2.480027 -1.883934 -0.988414
C 2.975740 1.089737 1.204723
C -3.644436 -0.617460 1.307672
C -3.463743 -1.766437 0.395371
H 0.732381 -3.031037 -1.481341
H -2.572345 1.032851 2.347204
H -2.117519 -2.961939 -0.791361
H 4.050589 -0.651373 -0.427903
H 3.164873 -2.463675 -1.611935
H 2.387604 1.698066 1.895435
H 2.728854 2.333061 -0.347246
H 4.059961 1.241435 1.162360
H -4.366717 -2.335281 0.151839
H 0.847066 0.836570 -2.862504


