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	hartrees
Energy at 0K	-169.546754
Energy at 298.15K	-169.542019
HF Energy	-168.829537
Nuclear repulsion energy	71.567822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3135	15.20
2	A'	3219	3033	6.20
3	A'	1972	1858	86.59
4	A'	1610	1516	17.76
5	A'	1556	1466	5.92
6	A'	1293	1218	13.77
7	A'	998	940	2.83
8	A'	635	598	5.27
9	A"	3297	3106	13.02
10	A"	1607	1515	8.86
11	A"	1101	1037	4.23
12	A"	169	159	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.960	-0.544	0.000
N2	0.000	0.581	0.000
O3	1.173	0.194	0.000
H4	-0.440	-1.504	0.000
H5	-1.592	-0.425	0.885
H6	-1.592	-0.425	-0.885

	C1	N2	O3	H4	H5	H6
C1		1.4790	2.2576	1.0920	1.0933	1.0933
N2	1.4790		1.2353	2.1308	2.0803	2.0803
O3	2.2576	1.2353		2.3423	2.9682	2.9682
H4	1.0920	2.1308	2.3423		1.8091	1.8091
H5	1.0933	2.0803	2.9682	1.8091		1.7693
H6	1.0933	2.0803	2.9682	1.8091	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.835	N2	C1	H4	111.235
N2	C1	H5	107.347	N2	C1	H6	107.347
H4	C1	H5	111.408	H4	C1	H6	111.408
H5	C1	H6	107.890

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)