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	hartrees
Energy at 0K	-168.219010
Energy at 298.15K	-168.222531
HF Energy	-167.856435
Nuclear repulsion energy	67.491936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3027	7.98
2	A'	3041	2923	2.08
3	A'	1541	1481	11.06
4	A'	1411	1356	6.61
5	A'	1261	1211	16.44
6	A'	1107	1064	18.60
7	A'	739	710	16.02
8	A'	530	510	1.14
9	A"	3123	3001	8.18
10	A"	1542	1482	9.42
11	A"	989	951	1.25
12	A"	110	106	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.000	-0.570	0.000
N2	0.000	0.621	0.000
O3	1.211	0.188	0.000
H4	-0.438	-1.509	0.000
H5	-1.624	-0.462	0.896
H6	-1.624	-0.462	-0.896

	C1	N2	O3	H4	H5	H6
C1		1.5551	2.3379	1.0945	1.0969	1.0969
N2	1.5551		1.2860	2.1742	2.1479	2.1479
O3	2.3379	1.2860		2.3665	3.0440	3.0440
H4	1.0945	2.1742	2.3665		1.8181	1.8181
H5	1.0969	2.1479	3.0440	1.8181		1.7911
H6	1.0969	2.1479	3.0440	1.8181	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.393	N2	C1	H4	109.045
N2	C1	H5	106.907	N2	C1	H6	106.907
H4	C1	H5	112.123	H4	C1	H6	112.123
H5	C1	H6	109.465

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/3-21G*

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 CH3NO (nitrosomethane)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)