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	hartrees
Energy at 0K	-132.788853
Energy at 298.15K	-132.793133
Nuclear repulsion energy	11.957547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3954	3757	86.23
2	A'	3668	3484	29.11
3	A'	3666	3482	511.03
4	A'	3521	3345	0.49
5	A'	1671	1587	4.65
6	A'	1660	1577	56.23
7	A'	1082	1028	160.09
8	A'	440	418	88.30
9	A'	188	179	28.72
10	A'	157	149	32.55
11	A"	3664	3481	18.44
12	A"	1662	1579	19.54
13	A"	690	656	104.06
14	A"	171	163	49.29
15	A"	22	21	68.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.083	0.603	0.000
O2	-0.037	1.566	0.000
N3	-0.037	-1.396	0.000
H4	0.852	1.921	0.000
H5	0.785	-1.985	0.000
H6	-0.584	-1.648	0.813
H7	-0.584	-1.648	-0.813

	H1	O2	N3	H4	H5	H6	H7
H1		0.9707	2.0019	1.5259	2.6812	2.4843	2.4843
O2	0.9707		2.9615	0.9574	3.6448	3.3600	3.3600
N3	2.0019	2.9615		3.4333	1.0117	1.0120	1.0120
H4	1.5259	0.9574	3.4333		3.9060	3.9316	3.9316
H5	2.6812	3.6448	1.0117	3.9060		1.6276	1.6276
H6	2.4843	3.3600	1.0120	3.9316	1.6276		1.6270
H7	2.4843	3.3600	1.0120	3.9316	1.6276	1.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.629	H1	N3	H5	122.188
H1	N3	H6	106.339	H1	N3	H7	106.339
O2	H1	N3	169.449	H5	N3	H6	107.082
H5	N3	H7	107.082	H6	N3	H7	106.992

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

using model chemistry: MP2_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: MP2_cp_opt/6-311+G(3df,2pd)

States and conformations

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