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	hartrees
Energy at 0K	-206.690624
Energy at 298.15K
HF Energy	-206.690624
Nuclear repulsion energy	105.950499

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'	3430	3101	1.51	60.88	0.69	0.81
2	A'	3367	3044	4.20	100.89	0.28	0.44
3	A'	3332	3013	1.68	49.69	0.16	0.28
4	A'	1911	1728	187.99	87.26	0.44	0.61
5	A'	1839	1663	8.88	154.54	0.16	0.28
6	A'	1544	1396	16.18	32.86	0.37	0.54
7	A'	1403	1268	0.81	14.66	0.25	0.40
8	A'	1277	1155	66.28	40.51	0.50	0.67
9	A'	988	893	21.67	1.43	0.74	0.85
10	A'	665	601	4.73	6.83	0.14	0.25
11	A'	384	348	2.07	0.43	0.73	0.84
12	A"	1138	1029	39.52	9.07	0.75	0.86
13	A"	1090	985	45.09	1.60	0.75	0.86
14	A"	747	675	3.31	3.86	0.75	0.86
15	A"	182	165	0.00	0.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.192	1.212
C2	0.000	0.644
N3	-0.055	-0.779
O4	-1.152	-1.217
H5	2.083	0.609
H6	1.304	2.280
H7	-0.942	1.165

	C1	C2	N3	O4	H5	H6	H7
C1		1.3208	2.3489	3.3762	1.0751	1.0741	2.1348
C2	1.3208		1.4236	2.1892	2.0829	2.0920	1.0762
N3	2.3489	1.4236		1.1819	2.5481	3.3468	2.1363
O4	3.3762	2.1892	1.1819		3.7147	4.2736	2.3915
H5	1.0751	2.0829	2.5481	3.7147		1.8440	3.0751
H6	1.0741	2.0920	3.3468	4.2736	1.8440		2.5072
H7	2.1348	1.0762	2.1363	2.3915	3.0751	2.5072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.665	C1	C2	H7	125.594
C2	C1	H5	120.422	C2	C1	H6	121.402
C2	N3	O4	113.999	N3	C2	H7	116.741
H5	C1	H6	118.176

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/6-31+G**

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	-0.130
2	C	-0.225
3	N	-0.022
4	O	-0.159
5	H	0.181
6	H	0.169
7	H	0.186

	x	y	z	Total
	1.521	2.982	0.000	3.347
CHELPG
AIM
ESP

	x	y	z
x	7.041	2.268	0.000
y	2.268	5.880	0.000
z	0.000	0.000	3.177

<r²>	75.179
(<r²>)^1/2	8.671

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)