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	hartrees
Energy at 0K	-207.840793
Energy at 298.15K
HF Energy	-207.840793
Nuclear repulsion energy	104.217202

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	3197	1.71	65.11	0.67	0.80
2	A'	3104	3104	4.06	174.56	0.09	0.17
3	A'	3081	3081	12.57	50.04	0.50	0.67
4	A'	1624	1624	1.69	34.12	0.07	0.13
5	A'	1498	1498	127.36	52.71	0.53	0.70
6	A'	1384	1384	26.12	23.35	0.39	0.56
7	A'	1257	1257	1.48	10.29	0.23	0.38
8	A'	1100	1100	78.46	23.71	0.35	0.51
9	A'	856	856	43.35	0.38	0.65	0.79
10	A'	597	597	0.33	12.65	0.10	0.18
11	A'	343	343	0.89	1.10	0.73	0.84
12	A"	978	978	0.60	2.51	0.75	0.86
13	A"	976	976	49.69	0.96	0.75	0.86
14	A"	653	653	0.62	0.54	0.75	0.86
15	A"	176	176	0.12	0.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.221
C2	0.000	0.653
N3	-0.048	-0.777
O4	-1.180	-1.236
H5	2.099	0.592
H6	1.344	2.298
H7	-0.949	1.191

	C1	C2	N3	O4	H5	H6	H7
C1		1.3396	2.3623	3.4303	1.0867	1.0848	2.1626
C2	1.3396		1.4307	2.2278	2.1003	2.1236	1.0907
N3	2.3623	1.4307		1.2221	2.5460	3.3746	2.1641
O4	3.4303	2.2278	1.2221		3.7545	4.3427	2.4382
H5	1.0867	2.1003	2.5460	3.7545		1.8663	3.1068
H6	1.0848	2.1236	3.3746	4.3427	1.8663		2.5458
H7	2.1626	1.0907	2.1641	2.4382	3.1068	2.5458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.979	C1	C2	H7	125.399
C2	C1	H5	119.545	C2	C1	H6	121.955
C2	N3	O4	114.005	N3	C2	H7	117.622
H5	C1	H6	118.500

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/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	-0.718
2	C	0.262
3	N	-0.355
4	O	-0.815
5	H	0.409
6	H	0.137
7	H	1.080

	x	y	z	Total
	1.472	3.013	0.000	3.353
CHELPG
AIM
ESP

	x	y	z
x	7.737	2.065	0.000
y	2.065	7.582	0.000
z	0.000	0.000	4.011

<r²>	76.720
(<r²>)^1/2	8.759

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)