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	hartrees
Energy at 0K	-169.414919
Energy at 298.15K	-169.418597
HF Energy	-168.872147
Nuclear repulsion energy	70.263957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3023	11.30
2	A'	3057	2916	4.49
3	A'	1672	1595	55.38
4	A'	1482	1414	18.90
5	A'	1408	1344	15.14
6	A'	1172	1119	18.32
7	A'	880	839	13.17
8	A'	588	561	1.73
9	A"	3152	3007	8.08
10	A"	1485	1417	9.65
11	A"	996	950	5.02
12	A"	135	129	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.947	-0.575	0.000
N2	0.000	0.577	0.000
O3	1.156	0.234	0.000
H4	-0.404	-1.525	0.000
H5	-1.579	-0.468	0.888
H6	-1.579	-0.468	-0.888

	C1	N2	O3	H4	H5	H6
C1		1.4920	2.2534	1.0940	1.0949	1.0949
N2	1.4920		1.2057	2.1406	2.0912	2.0912
O3	2.2534	1.2057		2.3507	2.9595	2.9595
H4	1.0940	2.1406	2.3507		1.8129	1.8129
H5	1.0949	2.0912	2.9595	1.8129		1.7758
H6	1.0949	2.0912	2.9595	1.8129	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.863	N2	C1	H4	110.803
N2	C1	H5	106.870	N2	C1	H6	106.870
H4	C1	H5	111.834	H4	C1	H6	111.834
H5	C1	H6	108.375

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/6-311G**

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 CH3NO (nitrosomethane)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)