%chk=000268985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268985

0 1
S -2.129315 1.576196 -0.208608
O -2.976702 2.232659 0.751107
O -1.747059 2.217176 -1.443367
O 2.122553 -0.421716 3.220472
O 0.269263 0.634305 3.022791
N -0.662635 1.296861 0.728531
N 1.335734 0.223536 2.545260
N 4.419447 0.177843 -1.346829
C 0.610891 0.994107 0.283442
C 1.622358 0.504846 1.154939
C 2.952541 0.253568 0.639129
C -2.667586 -0.016879 -0.515254
C 3.194584 0.417376 -0.751127
C 0.910986 1.160782 -1.121705
C 2.140064 0.878476 -1.623160
C -3.416190 -0.703242 0.451717
C -2.375333 -0.640658 -1.736428
C 4.075941 -0.141717 1.429109
C -3.557790 -2.632631 -1.013449
C -3.857012 -2.001934 0.208136
C -2.813253 -1.938741 -1.985868
C 5.296840 -0.370602 0.837883
C 5.433336 -0.208678 -0.573460
C -4.012219 -4.027885 -1.269698
H -0.776285 1.357327 1.784511
H 0.141007 1.579058 -1.790019
H 2.374732 1.005881 -2.686455
H -3.664077 -0.216734 1.403033
H -1.805578 -0.103755 -2.504146
H 3.968061 -0.266676 2.514652
H -4.434787 -2.529511 0.966622
H -2.579698 -2.417523 -2.936122
H 6.160508 -0.671748 1.429372
H 6.395170 -0.396967 -1.065452
H -4.946922 -4.273077 -0.744533
H -4.184537 -4.229695 -2.336816
H -3.255536 -4.753027 -0.926507


%chk=000268985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268985

0 1
S -2.156606 1.621945 -0.139599
O -3.094948 2.260507 1.011327
O -1.843035 2.392981 -1.534594
O 2.333323 0.067511 3.486920
O 0.305800 0.998389 3.126726
N -0.581855 1.319158 0.821505
N 1.468483 0.557001 2.661027
N 4.453348 0.028621 -1.346360
C 0.667759 0.997442 0.342637
C 1.741176 0.621479 1.237798
C 3.063648 0.293476 0.717595
C -2.750384 -0.120879 -0.542319
C 3.256179 0.320612 -0.718864
C 0.925612 1.019432 -1.078161
C 2.166423 0.686205 -1.580381
C -3.406439 -0.836790 0.472288
C -2.548320 -0.612158 -1.841094
C 4.225724 -0.039951 1.493874
C -3.670875 -2.693624 -1.133618
C -3.864263 -2.134397 0.159128
C -3.018450 -1.913340 -2.124928
C 5.436799 -0.322283 0.848465
C 5.511871 -0.288462 -0.571692
C -4.141521 -4.101556 -1.443747
H -0.672048 1.385819 1.866464
H 0.129642 1.360093 -1.744930
H 2.372242 0.710493 -2.654496
H -3.573644 -0.392733 1.458820
H -2.071505 0.006577 -2.607708
H 4.160974 -0.079877 2.578925
H -4.382876 -2.717556 0.928203
H -2.880757 -2.322797 -3.131807
H 6.325631 -0.572672 1.435886
H 6.446957 -0.518631 -1.094595
H -5.042187 -4.366591 -0.863720
H -4.372801 -4.226491 -2.515353
H -3.357574 -4.840351 -1.187918


