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	hartrees
Energy at 0K	-38.812587
Energy at 298.15K
HF Energy	-38.812587
Nuclear repulsion energy	55.146315

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'	3271	3271	5.01	70.38	0.67	0.80
2	A'	3172	3172	11.93	143.47	0.19	0.31
3	A'	3145	3145	5.72	67.20	0.19	0.32
4	A'	1675	1675	5.08	72.52	0.17	0.29
5	A'	1518	1518	119.67	76.89	0.35	0.52
6	A'	1434	1434	26.55	28.64	0.40	0.57
7	A'	1297	1297	2.85	18.00	0.38	0.56
8	A'	1168	1168	61.12	30.33	0.51	0.67
9	A'	913	913	30.77	0.72	0.58	0.73
10	A'	603	603	3.88	9.96	0.28	0.44
11	A'	345	345	1.40	0.77	0.72	0.84
12	A"	1055	1055	40.33	4.28	0.75	0.86
13	A"	1021	1021	44.83	1.92	0.75	0.86
14	A"	696	696	2.14	7.39	0.75	0.86
15	A"	184	184	0.13	0.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.216	1.250
C2	0.000	0.664
N3	-0.028	-0.785
O4	-1.197	-1.267
H5	2.112	0.636
H6	1.326	2.330
H7	-0.958	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3497	2.3851	3.4865	1.0867	1.0851	2.1751
C2	1.3497		1.4489	2.2713	2.1121	2.1293	1.0894
N3	2.3851	1.4489		1.2644	2.5686	3.3963	2.1755
O4	3.4865	2.2713	1.2644		3.8169	4.3931	2.4597
H5	1.0867	2.1121	2.5686	3.8169		1.8674	3.1184
H6	1.0851	2.1293	3.3963	4.3931	1.8674		2.5567
H7	2.1751	1.0894	2.1755	2.4597	3.1184	2.5567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.871	C1	C2	H7	125.851
C2	C1	H5	119.804	C2	C1	H6	121.599
C2	N3	O4	113.497	N3	C2	H7	117.278
H5	C1	H6	118.597

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/CEP-121G

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	-0.289
2	C	-0.131
3	N	0.092
4	O	-0.209
5	H	0.177
6	H	0.178
7	H	0.182

	x	y	z	Total
	1.649	3.471	0.000	3.843
CHELPG
AIM
ESP

	x	y	z
x	7.147	2.602	0.000
y	2.602	6.265	0.000
z	0.000	0.000	2.496

<r²>	64.209
(<r²>)^1/2	8.013

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)