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	hartrees
Energy at 0K	-207.854586
Energy at 298.15K
HF Energy	-207.854586
Nuclear repulsion energy	104.271911

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'	3194	3194	1.68	64.73	0.68	0.81
2	A'	3101	3101	4.04	173.08	0.09	0.17
3	A'	3078	3078	12.70	51.64	0.49	0.65
4	A'	1624	1624	1.88	32.94	0.07	0.13
5	A'	1504	1504	128.16	53.68	0.53	0.69
6	A'	1386	1386	25.55	22.73	0.39	0.56
7	A'	1260	1260	1.39	10.58	0.23	0.38
8	A'	1103	1103	78.34	23.61	0.35	0.51
9	A'	858	858	43.32	0.37	0.67	0.81
10	A'	599	599	0.35	12.58	0.10	0.19
11	A'	344	344	0.89	1.10	0.72	0.84
12	A"	979	979	4.28	2.88	0.75	0.86
13	A"	976	976	46.02	0.60	0.75	0.86
14	A"	653	653	0.63	0.54	0.75	0.86
15	A"	175	175	0.12	0.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.220
C2	0.000	0.653
N3	-0.048	-0.776
O4	-1.179	-1.236
H5	2.099	0.591
H6	1.343	2.297
H7	-0.948	1.191

	C1	C2	N3	O4	H5	H6	H7
C1		1.3393	2.3614	3.4287	1.0864	1.0845	2.1618
C2	1.3393		1.4298	2.2266	2.1000	2.1230	1.0905
N3	2.3614	1.4298		1.2210	2.5457	3.3733	2.1633
O4	3.4287	2.2266	1.2210		3.7532	4.3408	2.4377
H5	1.0864	2.1000	2.5457	3.7532		1.8655	3.1059
H6	1.0845	2.1230	3.3733	4.3408	1.8655		2.5445
H7	2.1618	1.0905	2.1633	2.4377	3.1059	2.5445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.996	C1	C2	H7	125.364
C2	C1	H5	119.566	C2	C1	H6	121.953
C2	N3	O4	114.041	N3	C2	H7	117.640
H5	C1	H6	118.481

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/aug-cc-pVQZ

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	-0.782
2	C	-0.281
3	N	0.016
4	O	-0.371
5	H	0.463
6	H	0.418
7	H	0.536

	x	y	z	Total
	1.472	3.014	0.000	3.354
CHELPG
AIM
ESP

	x	y	z
x	7.715	2.065	0.000
y	2.065	7.558	0.000
z	0.000	0.000	3.993

<r²>	76.660
(<r²>)^1/2	8.756

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)