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	hartrees
Energy at 0K	-168.909761
Energy at 298.15K	-168.913590
HF Energy	-168.909761
Nuclear repulsion energy	71.860573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	2972	15.35
2	A'	3171	2881	6.94
3	A'	1940	1762	100.99
4	A'	1582	1438	22.37
5	A'	1532	1392	7.17
6	A'	1278	1161	15.43
7	A'	987	896	3.67
8	A'	633	575	5.12
9	A"	3246	2949	10.46
10	A"	1583	1438	11.05
11	A"	1091	991	4.19
12	A"	176	159	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.922	-0.580	0.000
N2	0.000	0.554	0.000
O3	1.128	0.261	0.000
H4	-0.390	-1.521	0.000
H5	-1.551	-0.481	0.875
H6	-1.551	-0.481	-0.875

	C1	N2	O3	H4	H5	H6
C1		1.4615	2.2160	1.0804	1.0822	1.0822
N2	1.4615		1.1656	2.1107	2.0596	2.0596
O3	2.2160	1.1656		2.3406	2.9146	2.9146
H4	1.0804	2.1107	2.3406		1.7873	1.7873
H5	1.0822	2.0596	2.9146	1.7873		1.7498
H6	1.0822	2.0596	2.9146	1.7873	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	114.563	N2	C1	H4	111.389
N2	C1	H5	107.195	N2	C1	H6	107.195
H4	C1	H5	111.471	H4	C1	H6	111.471
H5	C1	H6	107.894

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/aug-cc-pVQZ

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	-0.629
2	N	0.164
3	O	-0.412
4	H	0.335
5	H	0.271
6	H	0.271

	x	y	z	Total
	-2.102	-1.452	0.000	2.555
CHELPG
AIM
ESP

	x	y	z
x	4.641	0.242	0.000
y	0.242	3.496	0.000
z	0.000	0.000	3.031

<r²>	40.564
(<r²>)^1/2	6.369

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)