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	hartrees
Energy at 0K	-207.840418
Energy at 298.15K
HF Energy	-207.840418
Nuclear repulsion energy	104.217606

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'	3197	3148	1.73	65.44	0.67	0.81
2	A'	3105	3057	4.16	176.04	0.09	0.17
3	A'	3082	3035	12.41	48.87	0.51	0.68
4	A'	1624	1599	1.67	34.00	0.07	0.13
5	A'	1497	1474	127.98	53.38	0.53	0.69
6	A'	1384	1363	26.17	23.33	0.39	0.57
7	A'	1257	1237	1.49	10.18	0.23	0.37
8	A'	1100	1083	78.49	23.62	0.35	0.52
9	A'	856	843	43.24	0.37	0.70	0.83
10	A'	597	588	0.34	12.44	0.10	0.19
11	A'	343	338	0.91	1.13	0.72	0.84
12	A"	977	962	3.13	2.71	0.75	0.86
13	A"	975	961	47.19	0.67	0.75	0.86
14	A"	652	642	0.61	0.52	0.75	0.86
15	A"	175	172	0.12	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.221
C2	0.000	0.653
N3	-0.047	-0.777
O4	-1.180	-1.236
H5	2.099	0.592
H6	1.343	2.298
H7	-0.949	1.190

	C1	C2	N3	O4	H5	H6	H7
C1		1.3396	2.3622	3.4302	1.0867	1.0848	2.1626
C2	1.3396		1.4305	2.2276	2.1003	2.1236	1.0906
N3	2.3622	1.4305		1.2223	2.5461	3.3745	2.1638
O4	3.4302	2.2276	1.2223		3.7547	4.3425	2.4376
H5	1.0867	2.1003	2.5461	3.7547		1.8662	3.1067
H6	1.0848	2.1236	3.3745	4.3425	1.8662		2.5458
H7	2.1626	1.0906	2.1638	2.4376	3.1067	2.5458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.987	C1	C2	H7	125.400
C2	C1	H5	119.547	C2	C1	H6	121.956
C2	N3	O4	113.990	N3	C2	H7	117.613
H5	C1	H6	118.498

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/aug-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	-0.510
2	C	0.003
3	N	-0.058
4	O	-0.411
5	H	0.316
6	H	0.202
7	H	0.457

	x	y	z	Total
	1.475	3.017	0.000	3.358
CHELPG
AIM
ESP

	x	y	z
x	7.715	2.080	0.000
y	2.080	7.564	0.000
z	0.000	0.000	3.972

<r²>	76.720
(<r²>)^1/2	8.759

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)