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	hartrees
Energy at 0K	-206.772380
Energy at 298.15K
HF Energy	-206.772380
Nuclear repulsion energy	106.381629

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'	3396	3085	1.36	53.89	0.68	0.81
2	A'	3333	3028	4.11	102.91	0.22	0.37
3	A'	3302	3000	1.96	48.50	0.10	0.18
4	A'	1896	1722	175.99	71.20	0.44	0.61
5	A'	1826	1659	7.80	147.01	0.16	0.27
6	A'	1539	1398	15.77	29.62	0.32	0.49
7	A'	1400	1272	0.92	15.05	0.20	0.34
8	A'	1267	1151	64.94	36.62	0.47	0.64
9	A'	980	890	21.07	1.70	0.74	0.85
10	A'	664	603	3.63	7.35	0.10	0.18
11	A'	385	350	2.06	0.38	0.63	0.78
12	A"	1133	1030	23.86	9.05	0.75	0.86
13	A"	1093	993	44.76	0.73	0.75	0.86
14	A"	752	683	2.78	1.69	0.75	0.86
15	A"	186	169	0.01	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.186	1.209
C2	0.000	0.645
N3	-0.057	-0.778
O4	-1.144	-1.216
H5	2.074	0.607
H6	1.298	2.275
H7	-0.939	1.166

	C1	C2	N3	O4	H5	H6	H7
C1		1.3139	2.3444	3.3632	1.0726	1.0716	2.1257
C2	1.3139		1.4237	2.1839	2.0739	2.0843	1.0739
N3	2.3444	1.4237		1.1715	2.5411	3.3405	2.1343
O4	3.3632	2.1839	1.1715		3.6976	4.2604	2.3904
H5	1.0726	2.0739	2.5411	3.6976		1.8399	3.0639
H6	1.0716	2.0843	3.3405	4.2604	1.8399		2.4972
H7	2.1257	1.0739	2.1343	2.3904	3.0639	2.4972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.763	C1	C2	H7	125.509
C2	C1	H5	120.346	C2	C1	H6	121.454
C2	N3	O4	114.253	N3	C2	H7	116.728
H5	C1	H6	118.200

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/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	-0.715
2	C	-0.315
3	N	0.085
4	O	-0.428
5	H	0.468
6	H	0.379
7	H	0.525

	x	y	z	Total
	1.409	2.808	0.000	3.142
CHELPG
AIM
ESP

	x	y	z
x	7.067	2.032	0.000
y	2.032	6.312	0.000
z	0.000	0.000	3.797

<r²>	74.647
(<r²>)^1/2	8.640

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)