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	hartrees
Energy at 0K	-207.873801
Energy at 298.15K
HF Energy	-207.873801
Nuclear repulsion energy	105.382449

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'	3275	3275	0.38	58.48	0.66	0.80
2	A'	3185	3185	4.47	174.53	0.13	0.23
3	A'	3168	3168	2.75	18.74	0.49	0.66
4	A'	1704	1704	7.05	29.81	0.05	0.09
5	A'	1632	1632	138.76	94.21	0.37	0.54
6	A'	1415	1415	23.87	21.11	0.38	0.55
7	A'	1285	1285	2.41	7.80	0.25	0.41
8	A'	1153	1153	77.11	26.73	0.40	0.57
9	A'	899	899	28.03	0.32	0.64	0.78
10	A'	616	616	1.52	9.40	0.10	0.18
11	A'	345	345	1.15	0.70	0.67	0.80
12	A"	1019	1019	6.70	3.49	0.75	0.86
13	A"	1009	1009	47.89	0.28	0.75	0.86
14	A"	690	690	1.07	0.72	0.75	0.86
15	A"	178	178	0.08	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.203	1.205
C2	0.000	0.647
N3	-0.050	-0.771
O4	-1.167	-1.218
H5	2.079	0.574
H6	1.336	2.275
H7	-0.946	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3255	2.3390	3.3890	1.0804	1.0785	2.1483
C2	1.3255		1.4189	2.2004	2.0808	2.1058	1.0833
N3	2.3390	1.4189		1.2036	2.5181	3.3462	2.1429
O4	3.3890	2.2004	1.2036		3.7082	4.2974	2.4042
H5	1.0804	2.0808	2.5181	3.7082		1.8565	3.0844
H6	1.0785	2.1058	3.3462	4.2974	1.8565		2.5326
H7	2.1483	1.0833	2.1429	2.4042	3.0844	2.5326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.876	C1	C2	H7	125.928
C2	C1	H5	119.392	C2	C1	H6	121.983
C2	N3	O4	113.827	N3	C2	H7	117.197
H5	C1	H6	118.625

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/daug-cc-pVTZ

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	-1.427
2	C	-0.243
3	N	-0.400
4	O	-0.678
5	H	0.668
6	H	0.605
7	H	1.475

	x	y	z	Total
	1.410	2.909	0.000	3.233
CHELPG
AIM
ESP

	x	y	z
x	7.326	1.998	0.000
y	1.998	6.999	0.000
z	0.000	0.000	3.848

<r²>	75.245
(<r²>)^1/2	8.674

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)