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	hartrees
Energy at 0K	-168.840300
Energy at 298.15K	-168.844121
HF Energy	-168.840300
Nuclear repulsion energy	71.573807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	2986	13.71
2	A'	3194	2888	6.77
3	A'	1958	1771	104.76
4	A'	1589	1437	23.04
5	A'	1541	1393	7.95
6	A'	1285	1162	14.16
7	A'	999	903	2.72
8	A'	633	572	5.42
9	A"	3277	2963	9.80
10	A"	1588	1436	12.52
11	A"	1096	991	5.51
12	A"	171	155	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.928	-0.573	0.000
N2	0.000	0.557	0.000
O3	1.135	0.249	0.000
H4	-0.398	-1.517	0.000
H5	-1.557	-0.470	0.877
H6	-1.557	-0.470	-0.877

	C1	N2	O3	H4	H5	H6
C1		1.4624	2.2207	1.0826	1.0841	1.0841
N2	1.4624		1.1760	2.1123	2.0609	2.0609
O3	2.2207	1.1760		2.3389	2.9208	2.9208
H4	1.0826	2.1123	2.3389		1.7914	1.7914
H5	1.0841	2.0609	2.9208	1.7914		1.7543
H6	1.0841	2.0609	2.9208	1.7914	1.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	114.200	N2	C1	H4	111.314
N2	C1	H5	107.116	N2	C1	H6	107.116
H4	C1	H5	111.530	H4	C1	H6	111.530
H5	C1	H6	108.006

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/6-31+G**

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	-0.324
2	N	0.026
3	O	-0.182
4	H	0.162
5	H	0.159
6	H	0.159

	x	y	z	Total
	-2.252	-1.521	0.000	2.717
CHELPG
AIM
ESP

	x	y	z
x	4.432	0.136	0.000
y	0.136	3.037	0.000
z	0.000	0.000	2.673

<r²>	40.815
(<r²>)^1/2	6.389

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)