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	hartrees
Energy at 0K	-207.845065
Energy at 298.15K
HF Energy	-207.845065
Nuclear repulsion energy	104.244306

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'	3199	3155	1.90	63.54	0.68	0.81
2	A'	3104	3062	4.30	171.69	0.12	0.21
3	A'	3082	3039	13.43	49.06	0.50	0.67
4	A'	1627	1605	1.87	26.42	0.08	0.15
5	A'	1507	1486	121.24	46.34	0.39	0.56
6	A'	1385	1366	24.33	20.75	0.39	0.56
7	A'	1258	1240	1.23	8.66	0.34	0.51
8	A'	1101	1086	75.56	21.34	0.43	0.60
9	A'	857	845	42.59	0.24	0.29	0.45
10	A'	598	590	0.34	10.05	0.19	0.32
11	A'	343	338	1.25	1.12	0.68	0.81
12	A"	982	968	12.65	1.23	0.75	0.86
13	A"	980	967	35.53	1.63	0.75	0.86
14	A"	656	647	0.60	2.48	0.75	0.86
15	A"	176	173	0.09	0.57	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.221
C2	0.000	0.652
N3	-0.047	-0.777
O4	-1.180	-1.235
H5	2.098	0.591
H6	1.343	2.299
H7	-0.950	1.190

	C1	C2	N3	O4	H5	H6	H7
C1		1.3395	2.3629	3.4290	1.0870	1.0851	2.1624
C2	1.3395		1.4307	2.2258	2.0993	2.1247	1.0911
N3	2.3629	1.4307		1.2213	2.5452	3.3758	2.1644
O4	3.4290	2.2258	1.2213		3.7526	4.3419	2.4359
H5	1.0870	2.0993	2.5452	3.7526		1.8668	3.1062
H6	1.0851	2.1247	3.3758	4.3419	1.8668		2.5468
H7	2.1624	1.0911	2.1644	2.4359	3.1062	2.5468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.033	C1	C2	H7	125.349
C2	C1	H5	119.438	C2	C1	H6	122.049
C2	N3	O4	113.899	N3	C2	H7	117.618
H5	C1	H6	118.514

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/Def2TZVPP

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	-0.094
2	C	-0.014
3	N	0.067
4	O	-0.228
5	H	0.094
6	H	0.106
7	H	0.069

	x	y	z	Total
	1.428	2.956	0.000	3.283
CHELPG
AIM
ESP

	x	y	z
x	7.184	2.199	0.000
y	2.199	6.963	0.000
z	0.000	0.000	3.309

<r²>	76.574
(<r²>)^1/2	8.751

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)