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	hartrees
Energy at 0K	-240.497922
Energy at 298.15K	-240.502626
Nuclear repulsion energy	122.066540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3051	1.15
2	A'	3539	2889	0.40
3	A'	1965	1604	37.03
4	A'	1795	1466	7.05
5	A'	1720	1404	8.33
6	A'	1390	1135	62.19
7	A'	1349	1101	23.82
8	A'	1107	904	30.85
9	A'	827	675	1.63
10	A'	410	335	2.69
11	A"	3711	3030	0.93
12	A"	1781	1454	4.46
13	A"	1300	1061	4.60
14	A"	290	237	1.02
15	A"	248	202	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.307	0.292	0.000
O2	0.000	0.912	0.000
H3	2.019	1.119	0.000
H4	1.467	-0.323	0.889
H5	1.467	-0.323	-0.889
N6	-1.060	-0.015	0.000
O7	-0.672	-1.177	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4465	1.0905	1.0931	1.0931	2.3867	2.4650
O2	1.4465		2.0293	2.1133	2.1133	1.4076	2.1940
H3	1.0905	2.0293		1.7815	1.7815	3.2805	3.5370
H4	1.0931	2.1133	1.7815		1.7788	2.6960	2.4688
H5	1.0931	2.1133	1.7815	1.7788		2.6960	2.4688
N6	2.3867	1.4076	3.2805	2.6960	2.6960		1.2250
O7	2.4650	2.1940	3.5370	2.4688	2.4688	1.2250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	113.488	O2	C1	H3	105.379
O2	C1	H4	111.890	O2	C1	H5	111.890
O2	N6	O7	112.715	H3	C1	H4	109.341
H3	C1	H5	109.341	H4	C1	H5	108.912

All results from a given calculation for CH₃ONO (Methyl nitrite)

using model chemistry: HF/STO-3G

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	-0.077
2	O	-0.169
3	H	0.089
4	H	0.079
5	H	0.079
6	N	0.117
7	O	-0.119

	x	y	z	Total
	1.813	-0.252	0.000	1.831
CHELPG
AIM
ESP

	x	y	z
x	2.264	0.491	0.000
y	0.491	2.421	0.000
z	0.000	0.000	1.197

<r²>	64.782
(<r²>)^1/2	8.049

All results from a given calculation for CH3ONO (Methyl nitrite)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₃ONO (Methyl nitrite)