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	hartrees
Energy at 0K	-206.712693
Energy at 298.15K
HF Energy	-206.712693
Nuclear repulsion energy	105.858259

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'	3416	3115	1.33	55.80	0.68	0.81
2	A'	3349	3054	3.87	100.24	0.23	0.38
3	A'	3312	3020	1.77	53.55	0.10	0.18
4	A'	1898	1731	181.03	74.80	0.43	0.60
5	A'	1826	1666	9.98	160.12	0.16	0.27
6	A'	1526	1391	17.66	30.19	0.33	0.50
7	A'	1387	1265	0.75	12.89	0.20	0.34
8	A'	1266	1154	67.60	37.01	0.48	0.65
9	A'	977	891	19.16	1.35	0.71	0.83
10	A'	661	603	4.01	7.49	0.10	0.19
11	A'	382	348	2.11	0.41	0.63	0.77
12	A"	1133	1033	26.42	8.72	0.75	0.86
13	A"	1086	990	42.49	0.87	0.75	0.86
14	A"	746	680	2.90	1.83	0.75	0.86
15	A"	189	172	0.01	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.196	1.211
C2	0.000	0.645
N3	-0.058	-0.781
O4	-1.153	-1.216
H5	2.088	0.601
H6	1.310	2.284
H7	-0.944	1.171

	C1	C2	N3	O4	H5	H6	H7
C1		1.3232	2.3531	3.3776	1.0799	1.0792	2.1408
C2	1.3232		1.4267	2.1891	2.0883	2.0981	1.0811
N3	2.3531	1.4267		1.1791	2.5521	3.3557	2.1439
O4	3.3776	2.1891	1.1791		3.7160	4.2796	2.3961
H5	1.0799	2.0883	2.5521	3.7160		1.8535	3.0853
H6	1.0792	2.0981	3.3557	4.2796	1.8535		2.5138
H7	2.1408	1.0811	2.1439	2.3961	3.0853	2.5138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.625	C1	C2	H7	125.551
C2	C1	H5	120.347	C2	C1	H6	121.360
C2	N3	O4	113.965	N3	C2	H7	116.824
H5	C1	H6	118.293

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/daug-cc-pVDZ

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	0.149
2	C	1.824
3	N	-0.007
4	O	-0.342
5	H	-0.483
6	H	-0.619
7	H	-0.523

	x	y	z	Total
	1.454	2.846	0.000	3.196
CHELPG
AIM
ESP

	x	y	z
x	7.191	2.086	0.000
y	2.086	6.406	0.000
z	0.000	0.000	3.840

<r²>	75.238
(<r²>)^1/2	8.674

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)