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	hartrees
Energy at 0K	-207.829383
Energy at 298.15K
HF Energy	-207.829383
Nuclear repulsion energy	104.898419

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'	3295	3295	0.40	59.72	0.68	0.81
2	A'	3195	3195	4.95	172.12	0.14	0.24
3	A'	3177	3177	2.07	24.54	0.27	0.43
4	A'	1707	1707	8.63	27.89	0.04	0.07
5	A'	1641	1641	142.58	102.55	0.35	0.52
6	A'	1404	1404	24.91	20.57	0.38	0.55
7	A'	1276	1276	3.70	6.94	0.27	0.42
8	A'	1155	1155	77.58	25.41	0.41	0.58
9	A'	899	899	24.58	0.28	0.28	0.44
10	A'	615	615	1.75	9.61	0.10	0.19
11	A'	343	343	1.15	0.75	0.67	0.80
12	A"	1033	1033	15.80	3.30	0.75	0.86
13	A"	1008	1008	39.43	0.20	0.75	0.86
14	A"	687	687	1.06	0.78	0.75	0.86
15	A"	182	182	0.08	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.212	1.206
C2	0.000	0.648
N3	-0.050	-0.774
O4	-1.176	-1.218
H5	2.094	0.571
H6	1.346	2.284
H7	-0.951	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3345	2.3481	3.4029	1.0875	1.0859	2.1629
C2	1.3345		1.4220	2.2054	2.0955	2.1189	1.0907
N3	2.3481	1.4220		1.2100	2.5310	3.3614	2.1526
O4	3.4029	2.2054	1.2100		3.7272	4.3158	2.4104
H5	1.0875	2.0955	2.5310	3.7272		1.8696	3.1058
H6	1.0859	2.1189	3.3614	4.3158	1.8696		2.5478
H7	2.1629	1.0907	2.1526	2.4104	3.1058	2.5478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.791	C1	C2	H7	125.922
C2	C1	H5	119.462	C2	C1	H6	121.857
C2	N3	O4	113.595	N3	C2	H7	117.287
H5	C1	H6	118.680

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/daug-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	0.337
2	C	2.108
3	N	0.237
4	O	-0.328
5	H	-0.728
6	H	-0.801
7	H	-0.825

	x	y	z	Total
	1.445	2.942	0.000	3.277
CHELPG
AIM
ESP

	x	y	z
x	7.421	2.040	0.000
y	2.040	7.083	0.000
z	0.000	0.000	3.877

<r²>	75.805
(<r²>)^1/2	8.707

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)