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	hartrees
Energy at 0K	-207.516434
Energy at 298.15K
HF Energy	-206.751355
Nuclear repulsion energy	104.809910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3096	0.49
2	A'	3206	3023	3.32
3	A'	3179	2998	0.68
4	A'	1702	1605	2.77
5	A'	1640	1546	85.22
6	A'	1435	1353	13.71
7	A'	1300	1226	1.10
8	A'	1170	1103	54.91
9	A'	906	854	21.28
10	A'	618	583	1.01
11	A'	354	334	1.31
12	A"	1007	950	30.51
13	A"	1002	945	25.54
14	A"	689	650	1.53
15	A"	172	162	0.04

Atom	x (Å)	y (Å)
C1	1.204	1.220
C2	0.000	0.650
N3	-0.046	-0.784
O4	-1.170	-1.225
H5	2.091	0.601
H6	1.322	2.294
H7	-0.952	1.169

	C1	C2	N3	O4	H5	H6	H7
C1		1.3316	2.3612	3.4075	1.0820	1.0804	2.1563
C2	1.3316		1.4345	2.2100	2.0915	2.1093	1.0842
N3	2.3612	1.4345		1.2078	2.5462	3.3677	2.1524
O4	3.4075	2.2100	1.2078		3.7374	4.3116	2.4032
H5	1.0820	2.0915	2.5462	3.7374		1.8593	3.0956
H6	1.0804	2.1093	3.3677	4.3116	1.8593		2.5372
H7	2.1563	1.0842	2.1524	2.4032	3.0956	2.5372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.164	C1	C2	H7	126.098
C2	C1	H5	119.770	C2	C1	H6	121.623
C2	N3	O4	113.249	N3	C2	H7	116.737
H5	C1	H6	118.607

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

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 C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)