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	hartrees
Energy at 0K	-131.673577
Energy at 298.15K	-131.677812
HF Energy	-131.673577
Nuclear repulsion energy	40.074410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3096	101.13
2	A₁	1586	1518	0.02
3	A₁	971	929	72.16
4	E	3248	3108	6.04
4	E	3248	3108	6.04
5	E	1631	1560	6.72
5	E	1631	1560	6.72
6	E	1180	1129	34.17
6	E	1180	1129	34.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.531
O2	0.000	0.000	0.818
H3	0.000	0.945	-0.942
H4	0.819	-0.473	-0.942
H5	-0.819	-0.473	-0.942

	N1	O2	H3	H4	H5
N1		1.3491	1.0307	1.0307	1.0307
O2	1.3491		1.9976	1.9976	1.9976
H3	1.0307	1.9976		1.6375	1.6375
H4	1.0307	1.9976	1.6375		1.6375
H5	1.0307	1.9976	1.6375	1.6375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.480	O2	N1	H4	113.480
O2	N1	H5	113.480	H3	N1	H4	105.181
H3	N1	H5	105.181	H4	N1	H5	105.181

All results from a given calculation for NH₃O (Ammonia Oxide)

using model chemistry: B1B95/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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Number	Element	Mulliken
1	N	-0.102
2	O	-0.573
3	H	0.225
4	H	0.225
5	H	0.225

	x	y	z	Total
	0.000	0.000	-5.499	5.499
CHELPG
AIM
ESP

<r²>	20.140
(<r²>)^1/2	4.488

All results from a given calculation for NH3O (Ammonia Oxide)

using model chemistry: B1B95/TZVP

States and conformations

All results from a given calculation for NH₃O (Ammonia Oxide)