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	hartrees
Energy at 0K	-33.001212
Energy at 298.15K	-33.004885
HF Energy	-32.516335
Nuclear repulsion energy	39.329815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3045	11.59
2	A'	3061	2917	4.39
3	A'	1518	1446	9.19
4	A'	1482	1412	21.50
5	A'	1415	1348	28.35
6	A'	1169	1114	13.53
7	A'	903	861	10.88
8	A'	572	545	1.85
9	A"	3176	3026	7.51
10	A"	1492	1422	11.88
11	A"	994	947	4.75
12	A"	141	135	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.970	-0.546	0.000
N2	0.000	0.586	0.000
O3	1.183	0.189	0.000
H4	-0.449	-1.507	0.000
H5	-1.599	-0.419	0.887
H6	-1.599	-0.419	-0.887

	C1	N2	O3	H4	H5	H6
C1		1.4906	2.2754	1.0937	1.0951	1.0951
N2	1.4906		1.2483	2.1414	2.0873	2.0873
O3	2.2754	1.2483		2.3548	2.9837	2.9837
H4	1.0937	2.1414	2.3548		1.8148	1.8148
H5	1.0951	2.0873	2.9837	1.8148		1.7744
H6	1.0951	2.0873	2.9837	1.8148	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.053	N2	C1	H4	110.980
N2	C1	H5	106.654	N2	C1	H6	106.654
H4	C1	H5	112.017	H4	C1	H6	112.017
H5	C1	H6	108.221

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)