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	hartrees
Energy at 0K	-168.895937
Energy at 298.15K	-168.899770
HF Energy	-168.895937
Nuclear repulsion energy	71.812566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	2976	16.21
2	A'	3170	2885	6.76
3	A'	1946	1771	96.16
4	A'	1582	1440	21.76
5	A'	1531	1393	6.53
6	A'	1278	1163	16.00
7	A'	986	897	3.52
8	A'	634	577	5.38
9	A"	3245	2953	11.96
10	A"	1583	1441	10.43
11	A"	1090	992	4.26
12	A"	176	160	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.923	-0.579	0.000
N2	0.000	0.555	0.000
O3	1.129	0.259	0.000
H4	-0.389	-1.519	0.000
H5	-1.552	-0.481	0.875
H6	-1.552	-0.481	-0.875

	C1	N2	O3	H4	H5	H6
C1		1.4623	2.2158	1.0809	1.0828	1.0828
N2	1.4623		1.1671	2.1110	2.0615	2.0615
O3	2.2158	1.1671		2.3379	2.9156	2.9156
H4	1.0809	2.1110	2.3379		1.7881	1.7881
H5	1.0828	2.0615	2.9156	1.7881		1.7506
H6	1.0828	2.0615	2.9156	1.7881	1.7506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	114.379	N2	C1	H4	111.325
N2	C1	H5	107.247	N2	C1	H6	107.247
H4	C1	H5	111.461	H4	C1	H6	111.461
H5	C1	H6	107.881

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/cc-pVTZ

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	-0.142
2	N	0.078
3	O	-0.217
4	H	0.089
5	H	0.096
6	H	0.096

	x	y	z	Total
	-2.104	-1.417	0.000	2.536
CHELPG
AIM
ESP

	x	y	z
x	4.307	0.230	0.000
y	0.230	3.036	0.000
z	0.000	0.000	2.660

<r²>	40.512
(<r²>)^1/2	6.365

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)