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	hartrees
Energy at 0K	-206.714747
Energy at 298.15K
HF Energy	-206.714747
Nuclear repulsion energy	102.737442

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'	3268	3154	1.26	57.20	0.66	0.80
2	A'	3189	3077	4.63	124.01	0.21	0.34
3	A'	3173	3061	0.90	28.26	0.17	0.29
4	A'	1683	1624	2.68	27.34	0.16	0.27
5	A'	1463	1412	14.14	20.27	0.39	0.56
6	A'	1332	1285	33.12	25.78	0.28	0.44
7	A'	1296	1250	3.43	10.85	0.45	0.62
8	A'	1118	1079	36.90	25.10	0.50	0.67
9	A'	848	818	47.65	2.26	0.57	0.73
10	A'	597	576	1.36	6.87	0.30	0.46
11	A'	334	322	1.07	0.38	0.66	0.80
12	A"	1031	994	0.86	2.07	0.75	0.86
13	A"	1028	992	71.27	0.39	0.75	0.86
14	A"	681	657	1.42	10.05	0.75	0.86
15	A"	192	186	0.18	1.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.175	1.277
C2	0.000	0.648
N3	0.007	-0.804
O4	-1.185	-1.264
H5	2.093	0.699
H6	1.251	2.357
H7	-0.972	1.131

	C1	C2	N3	O4	H5	H6	H7
C1		1.3331	2.3863	3.4678	1.0849	1.0831	2.1520
C2	1.3331		1.4519	2.2491	2.0941	2.1187	1.0854
N3	2.3863	1.4519		1.2777	2.5712	3.3974	2.1690
O4	3.4678	2.2491	1.2777		3.8210	4.3645	2.4047
H5	1.0849	2.0941	2.5712	3.8210		1.8597	3.0956
H6	1.0831	2.1187	3.3974	4.3645	1.8597		2.5390
H7	2.1520	1.0854	2.1690	2.4047	3.0956	2.5390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.867	C1	C2	H7	125.389
C2	C1	H5	119.658	C2	C1	H6	122.197
C2	N3	O4	110.804	N3	C2	H7	116.744
H5	C1	H6	118.145

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/3-21G

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	-0.345
2	C	-0.022
3	N	-0.041
4	O	-0.265
5	H	0.232
6	H	0.219
7	H	0.223

	x	y	z	Total
	1.262	2.911	0.000	3.173
CHELPG
AIM
ESP

	x	y	z
x	5.853	2.182	0.000
y	2.182	5.488	0.000
z	0.000	0.000	1.439

<r²>	77.661
(<r²>)^1/2	8.813

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)