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	hartrees
Energy at 0K	-169.621083
Energy at 298.15K	-169.624798
HF Energy	-169.621083
Nuclear repulsion energy	70.559968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3036	10.35
2	A'	3054	2915	1.42
3	A'	1737	1658	73.60
4	A'	1461	1395	21.41
5	A'	1377	1314	24.43
6	A'	1167	1113	15.39
7	A'	873	833	23.04
8	A'	581	554	2.04
9	A"	3150	3006	2.96
10	A"	1461	1394	11.82
11	A"	967	922	0.99
12	A"	173	165	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.566	0.000
N2	0.000	0.570	0.000
O3	1.154	0.229	0.000
H4	-0.416	-1.525	0.000
H5	-1.582	-0.452	0.881
H6	-1.582	-0.452	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4762	2.2417	1.0930	1.0951	1.0951
N2	1.4762		1.2034	2.1361	2.0798	2.0798
O3	2.2417	1.2034		2.3541	2.9543	2.9543
H4	1.0930	2.1361	2.3541		1.8126	1.8126
H5	1.0951	2.0798	2.9543	1.8126		1.7617
H6	1.0951	2.0798	2.9543	1.8126	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.168	N2	C1	H4	111.620
N2	C1	H5	107.037	N2	C1	H6	107.037
H4	C1	H5	111.872	H4	C1	H6	111.872
H5	C1	H6	107.102

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HSEh1PBE/6-31G**

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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Number	Element	Mulliken
1	C	-0.286
2	N	0.052
3	O	-0.257
4	H	0.152
5	H	0.169
6	H	0.169

	x	y	z	Total
	-1.978	-1.341	0.000	2.390
CHELPG
AIM
ESP

	x	y	z
x	4.187	0.309	0.000
y	0.309	2.836	0.000
z	0.000	0.000	2.425

<r²>	41.113
(<r²>)^1/2	6.412

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)