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	hartrees
Energy at 0K	-244.621494
Energy at 298.15K
HF Energy	-243.756736
Nuclear repulsion energy	125.716103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3024	1.46
2	A'	3110	2933	1.70
3	A'	1506	1421	22.13
4	A'	1491	1406	55.40
5	A'	1444	1361	2.57
6	A'	1165	1099	0.47
7	A'	969	914	4.21
8	A'	690	651	25.60
9	A'	631	595	5.11
10	A"	3235	3051	0.08
11	A"	1688	1592	391.55
12	A"	1495	1410	40.80
13	A"	1136	1071	16.77
14	A"	492	464	1.26
15	A"	26i	25i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.315	0.000
N2	-0.010	0.172	0.000
H3	1.045	-1.618	0.000
H4	-0.493	-1.653	0.904
H5	-0.493	-1.653	-0.904
O6	0.001	0.726	-1.079
O7	0.001	0.726	1.079

	C1	N2	H3	H4	H5	O6	O7
C1		1.4879	1.0871	1.0837	1.0837	2.3087	2.3087
N2	1.4879		2.0778	2.0933	2.0933	1.2126	1.2126
H3	1.0871	2.0778		1.7843	1.7843	2.7830	2.7830
H4	1.0837	2.0933	1.7843		1.8073	3.1356	2.4355
H5	1.0837	2.0933	1.7843	1.8073		2.4355	3.1356
O6	2.3087	1.2126	2.7830	3.1356	2.4355		2.1582
O7	2.3087	1.2126	2.7830	2.4355	3.1356	2.1582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.130	C1	N2	O7	117.130
N2	C1	H3	106.547	N2	C1	H4	107.945
N2	C1	H5	107.945	H3	C1	H4	110.561
H3	C1	H5	110.561	H4	C1	H5	113.002
O6	N2	O7	125.720

All results from a given calculation for CH₃NO₂ (Methane, nitro-)

using model chemistry: CCSD/6-311+G(3df,2p)

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 CH3NO2 (Methane, nitro-)

using model chemistry: CCSD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃NO₂ (Methane, nitro-)