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	hartrees
Energy at 0K	-207.586027
Energy at 298.15K
HF Energy	-207.586027
Nuclear repulsion energy	103.707255

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'	3315	3171	1.19	60.84	0.67	0.80
2	A'	3220	3081	5.99	150.40	0.17	0.30
3	A'	3202	3063	1.49	20.15	0.30	0.46
4	A'	1712	1638	4.88	36.95	0.17	0.30
5	A'	1504	1439	93.06	46.45	0.33	0.49
6	A'	1459	1396	25.71	21.82	0.39	0.56
7	A'	1317	1259	1.59	10.81	0.46	0.63
8	A'	1170	1119	59.29	22.64	0.51	0.68
9	A'	917	878	29.47	0.19	0.72	0.84
10	A'	621	594	3.82	8.88	0.30	0.47
11	A'	347	332	1.45	0.53	0.68	0.81
12	A"	1053	1007	26.53	2.76	0.75	0.86
13	A"	1036	991	50.79	0.41	0.75	0.86
14	A"	697	667	0.72	9.32	0.75	0.86
15	A"	196	188	0.24	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.234
C2	0.000	0.653
N3	-0.032	-0.774
O4	-1.185	-1.251
H5	2.099	0.617
H6	1.326	2.311
H7	-0.953	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3383	2.3588	3.4479	1.0854	1.0834	2.1595
C2	1.3383		1.4269	2.2422	2.0989	2.1233	1.0874
N3	2.3588	1.4269		1.2472	2.5449	3.3706	2.1562
O4	3.4479	2.2422	1.2472		3.7776	4.3579	2.4378
H5	1.0854	2.0989	2.5449	3.7776		1.8611	3.1026
H6	1.0834	2.1233	3.3706	4.3579	1.8611		2.5466
H7	2.1595	1.0874	2.1562	2.4378	3.1026	2.5466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.047	C1	C2	H7	125.494
C2	C1	H5	119.626	C2	C1	H6	122.160
C2	N3	O4	113.791	N3	C2	H7	117.459
H5	C1	H6	118.214

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-31G

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	-0.301
2	C	0.007
3	N	-0.012
4	O	-0.297
5	H	0.206
6	H	0.194
7	H	0.203

	x	y	z	Total
	1.581	3.368	0.000	3.720
CHELPG
AIM
ESP

	x	y	z
x	6.330	2.301	0.000
y	2.301	5.821	0.000
z	0.000	0.000	1.740

<r²>	77.009
(<r²>)^1/2	8.775

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)