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	hartrees
Energy at 0K	-207.891001
Energy at 298.15K
HF Energy	-207.891001
Nuclear repulsion energy	105.190357

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	3128	0.26	56.73	0.67	0.80
2	A'	3187	3044	4.90	157.54	0.17	0.29
3	A'	3168	3026	1.72	24.45	0.23	0.37
4	A'	1717	1640	6.87	28.29	0.08	0.15
5	A'	1659	1585	137.30	97.43	0.32	0.48
6	A'	1424	1360	24.15	21.00	0.39	0.57
7	A'	1295	1237	1.62	7.73	0.33	0.50
8	A'	1160	1108	73.31	27.54	0.45	0.62
9	A'	905	865	32.16	0.80	0.72	0.84
10	A'	623	595	1.08	6.94	0.19	0.31
11	A'	356	340	1.50	0.63	0.65	0.79
12	A"	1033	986	17.45	3.97	0.75	0.86
13	A"	1014	969	42.13	0.24	0.75	0.86
14	A"	693	662	1.43	2.54	0.75	0.86
15	A"	171	164	0.06	0.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.199	1.213
C2	0.000	0.650
N3	-0.049	-0.777
O4	-1.165	-1.224
H5	2.084	0.589
H6	1.324	2.286
H7	-0.948	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3252	2.3487	3.3952	1.0826	1.0807	2.1480
C2	1.3252		1.4272	2.2061	2.0851	2.1053	1.0853
N3	2.3487	1.4272		1.2023	2.5327	3.3567	2.1514
O4	3.3952	2.2061	1.2023		3.7205	4.3032	2.4113
H5	1.0826	2.0851	2.5327	3.7205		1.8598	3.0891
H6	1.0807	2.1053	3.3567	4.3032	1.8598		2.5285
H7	2.1480	1.0853	2.1514	2.4113	3.0891	2.5285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.107	C1	C2	H7	125.739
C2	C1	H5	119.656	C2	C1	H6	121.779
C2	N3	O4	113.795	N3	C2	H7	117.154
H5	C1	H6	118.564

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.141
2	C	-0.023
3	N	0.082
4	O	-0.254
5	H	0.112
6	H	0.119
7	H	0.104

	x	y	z	Total
	1.352	2.865	0.000	3.168
CHELPG
AIM
ESP

	x	y	z
x	6.954	2.134	0.000
y	2.134	6.463	0.000
z	0.000	0.000	3.295

<r²>	75.472
(<r²>)^1/2	8.687

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)