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	hartrees
Energy at 0K	-132.703828
Energy at 298.15K
HF Energy	-132.280724
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.876971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3937	3732	57.67
2	A'	3665	3474	9.41
3	A'	3646	3456	479.05
4	A'	3520	3337	4.34
5	A'	1666	1579	45.28
6	A'	1659	1573	19.88
7	A'	1147	1087	162.20
8	A'	471	447	114.16
9	A'	209	198	29.31
10	A'	172	163	34.64
11	A"	3665	3474	10.75
12	A"	1658	1571	22.48
13	A"	727	689	167.65
14	A"	184	174	44.86
15	A"	48i	45i	81.99

Atom	x (Å)	y (Å)	z (Å)
H1	0.041	0.586	0.000
O2	-0.039	1.556	0.000
N3	-0.039	-1.378	0.000
H4	0.870	1.863	0.000
H5	0.816	-1.920	0.000
H6	-0.569	-1.668	0.813
H7	-0.569	-1.668	-0.813

	H1	O2	N3	H4	H5	H6	H7
H1		0.9737	1.9651	1.5229	2.6232	2.4724	2.4724
O2	0.9737		2.9339	0.9598	3.5802	3.3672	3.3672
N3	1.9651	2.9339		3.3658	1.0128	1.0130	1.0130
H4	1.5229	0.9598	3.3658		3.7836	3.8987	3.8987
H5	2.6232	3.5802	1.0128	3.7836		1.6255	1.6255
H6	2.4724	3.3672	1.0130	3.8987	1.6255		1.6267
H7	2.4724	3.3672	1.0130	3.8987	1.6255	1.6267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.926	H1	N3	H5	120.064
H1	N3	H6	107.921	H1	N3	H7	107.921
O2	H1	N3	172.958	H5	N3	H6	106.720
H5	N3	H7	106.720	H6	N3	H7	106.822

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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