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	hartrees
Energy at 0K	-169.426506
Energy at 298.15K	-169.430188
HF Energy	-168.865939
Nuclear repulsion energy	70.225773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3032	8.93
2	A'	3078	2915	2.90
3	A'	1573	1490	17.07
4	A'	1496	1417	23.12
5	A'	1416	1341	34.61
6	A'	1182	1120	15.19
7	A'	907	859	14.41
8	A'	593	561	1.57
9	A"	3187	3018	4.25
10	A"	1495	1416	14.35
11	A"	1008	955	3.23
12	A"	134	127	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.952	-0.555	0.000
N2	0.000	0.575	0.000
O3	1.163	0.212	0.000
H4	-0.426	-1.511	0.000
H5	-1.583	-0.439	0.884
H6	-1.583	-0.439	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4780	2.2503	1.0912	1.0920	1.0920
N2	1.4780		1.2187	2.1293	2.0774	2.0774
O3	2.2503	1.2187		2.3440	2.9576	2.9576
H4	1.0912	2.1293	2.3440		1.8082	1.8082
H5	1.0920	2.0774	2.9576	1.8082		1.7674
H6	1.0920	2.0774	2.9576	1.8082	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.772	N2	C1	H4	111.051
N2	C1	H5	106.903	N2	C1	H6	106.903
H4	C1	H5	111.835	H4	C1	H6	111.835
H5	C1	H6	108.048

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)