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	hartrees
Energy at 0K	-38.804773
Energy at 298.15K
HF Energy	-38.804773
Nuclear repulsion energy	54.557439

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'	3274	3171	12.54	64.87	0.67	0.80
2	A'	3179	3078	9.92	161.86	0.21	0.34
3	A'	3156	3056	4.04	19.54	0.59	0.74
4	A'	1654	1602	4.47	57.57	0.17	0.29
5	A'	1428	1383	86.44	57.33	0.28	0.44
6	A'	1413	1368	30.79	29.45	0.39	0.56
7	A'	1266	1226	0.98	10.70	0.40	0.58
8	A'	1129	1093	68.30	29.32	0.60	0.75
9	A'	883	856	36.96	0.91	0.47	0.64
10	A'	586	568	4.31	10.22	0.33	0.50
11	A'	335	324	0.99	1.10	0.67	0.80
12	A"	1017	985	49.22	9.23	0.75	0.86
13	A"	1006	974	60.53	1.57	0.75	0.86
14	A"	673	652	1.29	3.05	0.75	0.86
15	A"	190	184	0.36	0.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.244	1.250
C2	0.000	0.666
N3	-0.031	-0.791
O4	-1.224	-1.264
H5	2.139	0.622
H6	1.365	2.338
H7	-0.960	1.194

	C1	C2	N3	O4	H5	H6	H7
C1		1.3744	2.4065	3.5236	1.0941	1.0938	2.2049
C2	1.3744		1.4569	2.2856	2.1396	2.1585	1.0958
N3	2.4065	1.4569		1.2840	2.5890	3.4257	2.1914
O4	3.5236	2.2856	1.2840		3.8560	4.4362	2.4722
H5	1.0941	2.1396	2.5890	3.8560		1.8823	3.1518
H6	1.0938	2.1585	3.4257	4.4362	1.8823		2.5918
H7	2.2049	1.0958	2.1914	2.4722	3.1518	2.5918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.382	C1	C2	H7	126.027
C2	C1	H5	119.739	C2	C1	H6	121.555
C2	N3	O4	112.854	N3	C2	H7	117.591
H5	C1	H6	118.706

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	-0.420
2	C	-0.125
3	N	0.009
4	O	-0.183
5	H	0.223
6	H	0.209
7	H	0.287

	x	y	z	Total
	1.710	3.727	0.000	4.100
CHELPG
AIM
ESP

	x	y	z
x	6.779	2.838	0.000
y	2.838	6.014	0.000
z	0.000	0.000	2.090

<r²>	65.169
(<r²>)^1/2	8.073

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)