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	hartrees
Energy at 0K	-207.663644
Energy at 298.15K
HF Energy	-207.663644
Nuclear repulsion energy	104.806753

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'	3297	3146	0.55	60.22	0.69	0.81
2	A'	3201	3055	4.29	153.67	0.15	0.27
3	A'	3184	3038	3.38	15.52	0.66	0.80
4	A'	1718	1640	5.77	12.47	0.12	0.21
5	A'	1657	1581	118.75	72.07	0.28	0.44
6	A'	1419	1354	22.64	19.79	0.41	0.58
7	A'	1288	1229	1.80	7.13	0.53	0.69
8	A'	1166	1113	69.02	22.43	0.50	0.67
9	A'	907	865	24.73	0.14	0.37	0.54
10	A'	620	592	2.24	7.00	0.26	0.42
11	A'	344	329	1.36	0.66	0.68	0.81
12	A"	1017	970	34.76	0.19	0.75	0.86
13	A"	1008	962	20.66	1.45	0.75	0.86
14	A"	688	656	0.55	7.92	0.75	0.86
15	A"	180	172	0.09	1.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.208	1.211
C2	0.000	0.645
N3	-0.045	-0.776
O4	-1.177	-1.219
H5	2.091	0.579
H6	1.342	2.287
H7	-0.951	1.177

	C1	C2	N3	O4	H5	H6	H7
C1		1.3343	2.3499	3.4049	1.0860	1.0842	2.1595
C2	1.3343		1.4224	2.2043	2.0922	2.1205	1.0894
N3	2.3499	1.4224		1.2151	2.5299	3.3630	2.1531
O4	3.4049	2.2043	1.2151		3.7298	4.3168	2.4060
H5	1.0860	2.0922	2.5299	3.7298		1.8655	3.1003
H6	1.0842	2.1205	3.3630	4.3168	1.8655		2.5475
H7	2.1595	1.0894	2.1531	2.4060	3.1003	2.5475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.921	C1	C2	H7	125.695
C2	C1	H5	119.283	C2	C1	H6	122.178
C2	N3	O4	113.154	N3	C2	H7	117.385
H5	C1	H6	118.539

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	-0.258
2	C	0.060
3	N	0.004
4	O	-0.281
5	H	0.169
6	H	0.160
7	H	0.147

	x	y	z	Total
	1.379	2.853	0.000	3.169
CHELPG
AIM
ESP

	x	y	z
x	6.319	2.098	0.000
y	2.098	5.855	0.000
z	0.000	0.000	2.017

<r²>	75.463
(<r²>)^1/2	8.687

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)