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	hartrees
Energy at 0K	-132.821958
Energy at 298.15K	-132.826227
Nuclear repulsion energy	11.929018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3932	3932
2	A'	3696	3696
3	A'	3614	3614
4	A'	3486	3486
5	A'	1684	1684
6	A'	1666	1666
7	A'	1104	1104
8	A'	427	427
9	A'	187	187
10	A'	155	155
11	A"	3611	3611
12	A"	1666	1666
13	A"	673	673
14	A"	167	167
15	A"	31	31

Atom	x (Å)	y (Å)	z (Å)
H1	0.077	0.613	0.000
O2	-0.037	1.575	0.000
N3	-0.037	-1.403	0.000
H4	0.855	1.924	0.000
H5	0.787	-1.995	0.000
H6	-0.584	-1.663	0.814
H7	-0.584	-1.663	-0.814

	H1	O2	N3	H4	H5	H6	H7
H1		0.9691	2.0190	1.5249	2.7030	2.5060	2.5060
O2	0.9691		2.9783	0.9578	3.6643	3.3839	3.3839
N3	2.0190	2.9783		3.4445	1.0143	1.0146	1.0146
H4	1.5249	0.9578	3.4445		3.9198	3.9500	3.9500
H5	2.7030	3.6643	1.0143	3.9198		1.6282	1.6282
H6	2.5060	3.3839	1.0146	3.9500	1.6282		1.6275
H7	2.5060	3.3839	1.0146	3.9500	1.6282	1.6275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.622	H1	N3	H5	122.506
H1	N3	H6	106.649	H1	N3	H7	106.649
O2	H1	N3	170.054	H5	N3	H6	106.740
H5	N3	H7	106.740	H6	N3	H7	106.644

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)

using model chemistry: CCSD(T)_cp_opt/6-311+G(3df,2pd)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2ONH3 (Water Ammonia Dimer)

using model chemistry: CCSD(T)_cp_opt/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)