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	hartrees
Energy at 0K	-168.627161
Energy at 298.15K	-168.630733
HF Energy	-168.505127
Nuclear repulsion energy	67.960956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3042	7.18
2	A'	3081	2934	0.84
3	A'	1545	1471	15.43
4	A'	1415	1347	8.75
5	A'	1253	1193	16.60
6	A'	1117	1063	21.21
7	A'	763	726	19.34
8	A'	539	513	1.49
9	A"	3165	3013	5.18
10	A"	1545	1471	12.48
11	A"	991	943	0.63
12	A"	128	122	2.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.994	-0.555	0.000
N2	0.000	0.614	0.000
O3	1.206	0.176	0.000
H4	-0.447	-1.497	0.000
H5	-1.619	-0.441	0.888
H6	-1.619	-0.441	-0.888

	C1	N2	O3	H4	H5	H6
C1		1.5340	2.3180	1.0892	1.0920	1.0920
N2	1.5340		1.2828	2.1571	2.1264	2.1264
O3	2.3180	1.2828		2.3514	3.0245	3.0245
H4	1.0892	2.1571	2.3514		1.8101	1.8101
H5	1.0920	2.1264	3.0245	1.8101		1.7768
H6	1.0920	2.1264	3.0245	1.8101	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.436	N2	C1	H4	109.466
N2	C1	H5	106.937	N2	C1	H6	106.937
H4	C1	H5	112.173	H4	C1	H6	112.173
H5	C1	H6	108.889

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)