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	hartrees
Energy at 0K	-242.708107
Energy at 298.15K	-242.712822
Nuclear repulsion energy	120.188663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3063	6.96
2	A'	3145	2961	9.50
3	A'	1617	1522	7.74
4	A'	1542	1452	0.77
5	A'	1427	1343	63.00
6	A'	1214	1143	0.46
7	A'	1038	977	153.03
8	A'	857	807	76.39
9	A'	725	683	33.06
10	A'	368	346	4.26
11	A"	3212	3024	23.33
12	A"	1603	1509	9.00
13	A"	1206	1135	0.91
14	A"	325	306	5.38
15	A"	228	214	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	1.339	0.311	0.000
O2	0.000	0.933	0.000
H3	2.017	1.159	0.000
H4	1.482	-0.303	0.888
H5	1.482	-0.303	-0.888
N6	-1.080	-0.041	0.000
O7	-0.682	-1.199	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4762	1.0853	1.0887	1.0887	2.4442	2.5229
O2	1.4762		2.0294	2.1240	2.1240	1.4545	2.2387
H3	1.0853	2.0294		1.7913	1.7913	3.3210	3.5837
H4	1.0887	2.1240	1.7913		1.7753	2.7239	2.5050
H5	1.0887	2.1240	1.7913	1.7753		2.7239	2.5050
N6	2.4442	1.4545	3.3210	2.7239	2.7239		1.2244
O7	2.5229	2.2387	3.5837	2.5050	2.5050	1.2244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	113.025	O2	C1	H3	103.750
O2	C1	H4	110.910	O2	C1	H5	110.910
O2	N6	O7	113.095	H3	C1	H4	110.978
H3	C1	H5	110.978	H4	C1	H5	109.242

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

using model chemistry: CISD/3-21G

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

using model chemistry: CISD/3-21G

States and conformations

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