%chk=000257659.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257659

0 1
S 0.001851 -1.461653 0.988010
O 0.002020 -1.142518 2.414406
O 0.006071 -2.854269 0.558226
N -3.849308 2.027879 1.117389
N 3.834819 2.048012 1.115133
N -4.691590 1.240964 -1.467254
N 4.673248 1.272608 -1.474046
C -1.371144 -0.682785 0.273571
C 1.368450 -0.673586 0.271452
C -2.004446 0.360222 0.959432
C 1.998266 0.370920 0.958245
C -1.866660 -1.110587 -0.958700
C 1.862572 -1.095399 -0.963457
C -3.117035 0.998803 0.412079
C 3.105822 1.016852 0.409354
C -3.622297 0.567256 -0.857415
C 3.609522 0.591539 -0.862858
C -2.978278 -0.493893 -1.529056
C 2.969149 -0.471260 -1.535461
H -1.630433 0.660690 1.945500
H 1.625540 0.666760 1.946228
H -1.392717 -1.949155 -1.480288
H 1.391539 -1.935022 -1.485946
H -3.352868 -0.836936 -2.490181
H 3.342662 -0.809669 -2.498641
H -3.636992 2.950351 0.740343
H -3.628295 2.035419 2.110135
H 3.613995 2.970528 0.743150
H 3.618920 2.049813 2.109037
H -5.182678 0.750913 -2.200800
H -5.313788 1.756439 -0.852907
H 5.164985 0.787324 -2.210285
H 5.293998 1.790640 -0.860393


%chk=000257659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257659

0 1
S 0.001780 -1.475269 0.925166
O 0.002008 -1.105616 2.527845
O 0.006012 -3.015200 0.359442
N -3.950826 2.046957 1.120500
N 3.932396 2.071729 1.113959
N -5.020106 1.156658 -1.268575
N 5.004005 1.187432 -1.276316
C -1.514060 -0.631685 0.192300
C 1.511195 -0.622395 0.189833
C -2.114516 0.396373 0.938149
C 2.106265 0.409587 0.934595
C -2.012810 -1.089181 -1.036062
C 2.011064 -1.077032 -1.039135
C -3.279764 1.013151 0.431460
C 3.266897 1.033529 0.426129
C -3.836329 0.552021 -0.811946
C 3.824629 0.575573 -0.817945
C -3.185456 -0.479843 -1.533818
C 3.179176 -0.460491 -1.538680
H -1.679734 0.693045 1.899866
H 1.670990 0.703783 1.896850
H -1.534932 -1.924449 -1.556367
H 1.537751 -1.915420 -1.558596
H -3.624074 -0.834184 -2.474406
H 3.618665 -0.812312 -2.479809
H -4.343321 2.810907 0.567524
H -3.612992 2.299689 2.047904
H 4.319299 2.837973 0.560217
H 3.594249 2.322610 2.041752
H -5.424657 0.832683 -2.145335
H -5.677097 1.497896 -0.565194
H 5.409502 0.865572 -2.153415
H 5.659693 1.533108 -0.573891


