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	hartrees
Energy at 0K	-169.515645
Energy at 298.15K	-169.519359
HF Energy	-168.893375
Nuclear repulsion energy	70.596340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	2986	9.05
2	A'	3061	2881	3.37
3	A'	1683	1584	48.47
4	A'	1482	1395	20.46
5	A'	1404	1321	12.51
6	A'	1176	1107	14.86
7	A'	894	841	11.16
8	A'	588	554	2.46
9	A"	3151	2966	5.09
10	A"	1485	1397	9.62
11	A"	1000	941	3.24
12	A"	153	144	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.943	-0.569	0.000
N2	0.000	0.572	0.000
O3	1.153	0.231	0.000
H4	-0.409	-1.517	0.000
H5	-1.575	-0.462	0.881
H6	-1.575	-0.462	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4809	2.2434	1.0881	1.0895	1.0895
N2	1.4809		1.2020	2.1292	2.0801	2.0801
O3	2.2434	1.2020		2.3442	2.9490	2.9490
H4	1.0881	2.1292	2.3442		1.8027	1.8027
H5	1.0895	2.0801	2.9490	1.8027		1.7620
H6	1.0895	2.0801	2.9490	1.8027	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.068	N2	C1	H4	111.035
N2	C1	H5	107.064	N2	C1	H6	107.064
H4	C1	H5	111.754	H4	C1	H6	111.754
H5	C1	H6	107.922

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD/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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All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)