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	hartrees
Energy at 0K	-207.843295
Energy at 298.15K
HF Energy	-207.843295
Nuclear repulsion energy	103.182524

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'	3175	3180	1.75	73.49	0.70	0.82
2	A'	3073	3078	2.67	167.06	0.12	0.22
3	A'	3045	3049	14.13	57.09	0.48	0.65
4	A'	1614	1617	0.98	20.17	0.13	0.22
5	A'	1477	1480	92.95	31.76	0.40	0.57
6	A'	1349	1351	21.13	18.15	0.46	0.63
7	A'	1226	1228	2.81	8.16	0.59	0.74
8	A'	1079	1081	61.67	19.89	0.45	0.62
9	A'	841	842	35.57	0.12	0.52	0.69
10	A'	585	586	0.48	9.22	0.25	0.40
11	A'	330	330	1.67	1.05	0.75	0.86
12	A"	975	977	22.39	0.59	0.75	0.86
13	A"	959	961	11.52	1.27	0.75	0.86
14	A"	649	650	0.36	8.09	0.75	0.86
15	A"	181	181	0.03	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.218	1.239
C2	0.000	0.654
N3	-0.039	-0.789
O4	-1.191	-1.244
H5	2.115	0.602
H6	1.343	2.330
H7	-0.967	1.189

	C1	C2	N3	O4	H5	H6	H7
C1		1.3511	2.3863	3.4597	1.1004	1.0984	2.1857
C2	1.3511		1.4441	2.2410	2.1155	2.1481	1.1051
N3	2.3863	1.4441		1.2386	2.5640	3.4123	2.1852
O4	3.4597	2.2410	1.2386		3.7863	4.3818	2.4432
H5	1.1004	2.1155	2.5640	3.7863		1.8929	3.1375
H6	1.0984	2.1481	3.4123	4.3818	1.8929		2.5772
H7	2.1857	1.1051	2.1852	2.4432	3.1375	2.5772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.201	C1	C2	H7	125.413
C2	C1	H5	118.947	C2	C1	H6	122.218
C2	N3	O4	113.082	N3	C2	H7	117.386
H5	C1	H6	118.835

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/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	0.088
2	C	0.048
3	N	-0.001
4	O	-0.165
5	H	0.024
6	H	0.034
7	H	-0.028

	x	y	z	Total
	1.318	2.638	0.000	2.949
CHELPG
AIM
ESP

	x	y	z
x	6.734	2.085	0.000
y	2.085	6.352	0.000
z	0.000	0.000	2.162

<r²>	77.578
(<r²>)^1/2	8.808

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)