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	hartrees
Energy at 0K	-207.978413
Energy at 298.15K
HF Energy	-207.978413
Nuclear repulsion energy	104.884642

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'	3245	3144	0.51	59.62	0.67	0.80
2	A'	3156	3058	3.94	172.44	0.12	0.22
3	A'	3141	3043	4.73	23.09	0.74	0.85
4	A'	1678	1625	2.63	30.14	0.10	0.18
5	A'	1582	1532	132.09	69.72	0.38	0.55
6	A'	1420	1376	23.58	21.48	0.42	0.59
7	A'	1291	1250	1.51	9.04	0.31	0.47
8	A'	1143	1108	75.04	26.20	0.41	0.58
9	A'	893	865	34.73	0.44	0.74	0.85
10	A'	617	597	1.15	8.66	0.17	0.29
11	A'	355	343	1.23	0.92	0.70	0.82
12	A"	1019	987	12.80	3.47	0.75	0.86
13	A"	1007	975	38.23	0.29	0.75	0.86
14	A"	687	665	1.00	2.05	0.75	0.86
15	A"	181	176	0.06	0.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.220
C2	0.000	0.648
N3	-0.046	-0.775
O4	-1.168	-1.232
H5	2.088	0.602
H6	1.322	2.293
H7	-0.949	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3300	2.3523	3.4093	1.0814	1.0797	2.1504
C2	1.3300		1.4238	2.2134	2.0889	2.1100	1.0848
N3	2.3523	1.4238		1.2118	2.5398	3.3587	2.1477
O4	3.4093	2.2134	1.2118		3.7374	4.3156	2.4156
H5	1.0814	2.0889	2.5398	3.7374		1.8562	3.0907
H6	1.0797	2.1100	3.3587	4.3156	1.8562		2.5318
H7	2.1504	1.0848	2.1477	2.4156	3.0907	2.5318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.297	C1	C2	H7	125.569
C2	C1	H5	119.702	C2	C1	H6	121.899
C2	N3	O4	114.000	N3	C2	H7	117.134
H5	C1	H6	118.400

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/cc-pVQZ

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	-0.170
2	C	-0.009
3	N	0.043
4	O	-0.211
5	H	0.125
6	H	0.135
7	H	0.087

	x	y	z	Total
	1.426	2.946	0.000	3.273
CHELPG
AIM
ESP

	x	y	z
x	7.132	2.107	0.000
y	2.107	6.814	0.000
z	0.000	0.000	3.372

<r²>	75.988
(<r²>)^1/2	8.717

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)