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	hartrees
Energy at 0K	-37.879203
Energy at 298.15K
HF Energy	-37.879203
Nuclear repulsion energy	55.682668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3476	3133	16.32	66.80	0.67	0.80
2	A'	3410	3074	9.20	103.25	0.35	0.52
3	A'	3367	3035	5.74	63.20	0.19	0.32
4	A'	1824	1644	7.42	146.43	0.21	0.35
5	A'	1740	1569	175.77	134.32	0.33	0.49
6	A'	1546	1394	16.92	33.86	0.42	0.59
7	A'	1399	1261	5.41	17.57	0.38	0.55
8	A'	1268	1143	61.81	45.57	0.56	0.72
9	A'	989	891	22.19	1.73	0.73	0.85
10	A'	643	579	8.83	8.56	0.33	0.50
11	A'	371	335	2.12	0.61	0.75	0.86
12	A"	1152	1039	49.17	16.37	0.75	0.86
13	A"	1091	984	52.29	5.68	0.75	0.86
14	A"	749	675	2.50	7.03	0.75	0.86
15	A"	194	175	0.10	0.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.224	1.234
C2	0.000	0.659
N3	-0.050	-0.780
O4	-1.188	-1.251
H5	2.114	0.624
H6	1.338	2.306
H7	-0.942	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3528	2.3837	3.4634	1.0787	1.0784	2.1669
C2	1.3528		1.4400	2.2493	2.1144	2.1221	1.0776
N3	2.3837	1.4400		1.2311	2.5800	3.3843	2.1558
O4	3.4634	2.2493	1.2311		3.7972	4.3628	2.4463
H5	1.0787	2.1144	2.5800	3.7972		1.8531	3.1065
H6	1.0784	2.1221	3.3843	4.3628	1.8531		2.5413
H7	2.1669	1.0776	2.1558	2.4463	3.1065	2.5413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.162	C1	C2	H7	125.765
C2	C1	H5	120.403	C2	C1	H6	121.174
C2	N3	O4	114.500	N3	C2	H7	117.073
H5	C1	H6	118.423

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/CEP-31G

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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Number	Element	Mulliken
1	C	-0.336
2	C	-0.113
3	N	0.061
4	O	-0.242
5	H	0.194
6	H	0.179
7	H	0.257

	x	y	z	Total
	1.858	3.689	0.000	4.130
CHELPG
AIM
ESP

	x	y	z
x	6.999	2.841	0.000
y	2.841	5.304	0.000
z	0.000	0.000	2.068

<r²>	63.917
(<r²>)^1/2	7.995

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)