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	hartrees
Energy at 0K	-207.865776
Energy at 298.15K
HF Energy	-207.865776
Nuclear repulsion energy	103.148362

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'	3181	3175	1.08	68.43	0.68	0.81
2	A'	3081	3075	3.16	176.60	0.09	0.17
3	A'	3059	3053	10.33	56.14	0.47	0.64
4	A'	1602	1599	1.36	36.64	0.09	0.16
5	A'	1454	1451	120.02	51.85	0.55	0.71
6	A'	1364	1361	27.93	25.00	0.42	0.59
7	A'	1239	1236	2.01	10.01	0.23	0.37
8	A'	1090	1088	77.67	23.99	0.37	0.54
9	A'	851	849	39.03	0.28	0.74	0.85
10	A'	588	587	0.70	12.99	0.11	0.20
11	A'	338	338	0.87	1.23	0.72	0.84
12	A"	981	979	30.02	2.72	0.75	0.86
13	A"	954	952	20.56	0.66	0.75	0.86
14	A"	645	643	0.54	0.60	0.75	0.86
15	A"	178	178	0.08	0.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.223	1.235
C2	0.000	0.655
N3	-0.042	-0.783
O4	-1.193	-1.248
H5	2.122	0.606
H6	1.346	2.324
H7	-0.963	1.192

	C1	C2	N3	O4	H5	H6	H7
C1		1.3532	2.3817	3.4645	1.0976	1.0959	2.1860
C2	1.3532		1.4392	2.2466	2.1230	2.1437	1.1021
N3	2.3817	1.4392		1.2417	2.5720	3.4030	2.1790
O4	3.4645	2.2466	1.2417		3.7990	4.3825	2.4506
H5	1.0976	2.1230	2.5720	3.7990		1.8852	3.1403
H6	1.0959	2.1437	3.4030	4.3825	1.8852		2.5713
H7	2.1860	1.1021	2.1790	2.4506	3.1403	2.5713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.033	C1	C2	H7	125.519
C2	C1	H5	119.688	C2	C1	H6	121.810
C2	N3	O4	113.654	N3	C2	H7	117.448
H5	C1	H6	118.502

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.871
2	C	1.190
3	N	-0.014
4	O	-0.510
5	H	-0.487
6	H	-0.516
7	H	-0.535

	x	y	z	Total
	1.535	3.111	0.000	3.469
CHELPG
AIM
ESP

	x	y	z
x	7.931	2.203	0.000
y	2.203	7.787	0.000
z	0.000	0.000	3.971

<r²>	78.197
(<r²>)^1/2	8.843

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)