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	hartrees
Energy at 0K	-207.881965
Energy at 298.15K
HF Energy	-207.881965
Nuclear repulsion energy	105.170683

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	3127	0.49	58.23	0.67	0.80
2	A'	3185	3045	5.04	158.22	0.18	0.31
3	A'	3165	3026	2.09	23.56	0.24	0.39
4	A'	1717	1641	6.09	25.84	0.10	0.19
5	A'	1659	1586	130.28	87.29	0.33	0.49
6	A'	1424	1361	23.73	19.78	0.44	0.61
7	A'	1296	1239	1.83	7.32	0.40	0.57
8	A'	1159	1108	70.11	26.32	0.44	0.61
9	A'	904	864	31.35	0.64	0.75	0.86
10	A'	623	595	1.05	6.64	0.22	0.36
11	A'	354	339	1.57	0.63	0.72	0.84
12	A"	1032	987	17.78	3.75	0.75	0.86
13	A"	1017	972	39.74	0.30	0.75	0.86
14	A"	695	664	1.52	3.61	0.75	0.86
15	A"	172	165	0.04	0.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.198	1.214
C2	0.000	0.650
N3	-0.047	-0.778
O4	-1.165	-1.224
H5	2.082	0.590
H6	1.323	2.287
H7	-0.949	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3247	2.3494	3.3952	1.0822	1.0803	2.1477
C2	1.3247		1.4283	2.2059	2.0832	2.1055	1.0848
N3	2.3494	1.4283		1.2032	2.5309	3.3576	2.1512
O4	3.3952	2.2059	1.2032		3.7192	4.3032	2.4085
H5	1.0822	2.0832	2.5309	3.7192		1.8593	3.0873
H6	1.0803	2.1055	3.3576	4.3032	1.8593		2.5300
H7	2.1477	1.0848	2.1512	2.4085	3.0873	2.5300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.119	C1	C2	H7	125.797
C2	C1	H5	119.540	C2	C1	H6	121.874
C2	N3	O4	113.636	N3	C2	H7	117.084
H5	C1	H6	118.585

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/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	-0.206
2	C	-0.032
3	N	0.066
4	O	-0.199
5	H	0.134
6	H	0.131
7	H	0.106

	x	y	z	Total
	1.328	2.798	0.000	3.097
CHELPG
AIM
ESP

	x	y	z
x	6.815	2.077	0.000
y	2.077	6.298	0.000
z	0.000	0.000	2.939

<r²>	75.402
(<r²>)^1/2	8.683

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)