Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond Type | Count |
---|---|
C-Zn | 2 |
H-C | 6 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
Zn1 | 0.0000 | 0.0000 | 0.0000 |
C2 | 0.0000 | 0.0000 | 1.9300 |
C3 | 0.0000 | 0.0000 | -1.9300 |
H4 | 0.0000 | 1.0163 | 2.3510 |
H5 | 0.0000 | 1.0163 | -2.3510 |
H6 | -0.8801 | -0.5081 | 2.3510 |
H7 | 0.8801 | -0.5081 | 2.3510 |
H8 | 0.8801 | -0.5081 | -2.3510 |
H9 | -0.8801 | -0.5081 | -2.3510 |
Zn1 | C2 | C3 | H4 | H5 | H6 | H7 | H8 | H9 | |
---|---|---|---|---|---|---|---|---|---|
Zn1 | 1.9300 | 1.9300 | 2.5612 | 2.5612 | 2.5612 | 2.5612 | 2.5612 | 2.5612 | |
C2 | 1.9300 | 3.8600 | 1.1000 | 4.3999 | 1.1000 | 1.1000 | 4.3999 | 4.3999 | |
C3 | 1.9300 | 3.8600 | 4.3999 | 1.1000 | 4.3999 | 4.3999 | 1.1000 | 1.1000 | |
H4 | 2.5612 | 1.1000 | 4.3999 | 4.7019 | 1.7602 | 1.7602 | 5.0206 | 5.0206 | |
H5 | 2.5612 | 4.3999 | 1.1000 | 4.7019 | 5.0206 | 5.0206 | 1.7602 | 1.7602 | |
H6 | 2.5612 | 1.1000 | 4.3999 | 1.7602 | 5.0206 | 1.7602 | 5.0206 | 4.7019 | |
H7 | 2.5612 | 1.1000 | 4.3999 | 1.7602 | 5.0206 | 1.7602 | 4.7019 | 5.0206 | |
H8 | 2.5612 | 4.3999 | 1.1000 | 5.0206 | 1.7602 | 5.0206 | 4.7019 | 1.7602 | |
H9 | 2.5612 | 4.3999 | 1.1000 | 5.0206 | 1.7602 | 4.7019 | 5.0206 | 1.7602 |
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