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	hartrees
Energy at 0K	-207.717087
Energy at 298.15K
HF Energy	-207.717087
Nuclear repulsion energy	105.210809

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'	3268	3140	0.32	58.25	0.67	0.81
2	A'	3175	3051	4.42	171.40	0.16	0.27
3	A'	3159	3036	3.19	17.65	0.63	0.77
4	A'	1703	1637	9.74	17.10	0.07	0.13
5	A'	1639	1575	126.45	82.68	0.33	0.49
6	A'	1410	1355	25.22	17.70	0.45	0.62
7	A'	1285	1234	2.45	6.95	0.41	0.58
8	A'	1154	1109	72.92	24.21	0.43	0.60
9	A'	899	864	27.64	0.30	0.42	0.59
10	A'	620	596	1.53	7.58	0.21	0.35
11	A'	347	334	1.37	0.83	0.72	0.84
12	A"	1018	978	7.41	3.21	0.75	0.86
13	A"	1011	972	47.30	0.14	0.75	0.86
14	A"	692	665	1.15	3.41	0.75	0.86
15	A"	179	172	0.06	0.77	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.208
C2	0.000	0.647
N3	-0.050	-0.773
O4	-1.169	-1.219
H5	2.083	0.574
H6	1.339	2.281
H7	-0.949	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3282	2.3440	3.3943	1.0838	1.0818	2.1528
C2	1.3282		1.4208	2.2022	2.0842	2.1123	1.0869
N3	2.3440	1.4208		1.2049	2.5220	3.3547	2.1477
O4	3.3943	2.2022	1.2049		3.7131	4.3058	2.4072
H5	1.0838	2.0842	2.5220	3.7131		1.8629	3.0910
H6	1.0818	2.1123	3.3547	4.3058	1.8629		2.5394
H7	2.1528	1.0869	2.1477	2.4072	3.0910	2.5394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.971	C1	C2	H7	125.811
C2	C1	H5	119.213	C2	C1	H6	122.105
C2	N3	O4	113.757	N3	C2	H7	117.218
H5	C1	H6	118.682

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/cc-pVTZ

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	-0.218
2	C	-0.032
3	N	0.060
4	O	-0.195
5	H	0.139
6	H	0.146
7	H	0.100

	x	y	z	Total
	1.360	2.817	0.000	3.128
CHELPG
AIM
ESP

	x	y	z
x	6.837	2.065	0.000
y	2.065	6.380	0.000
z	0.000	0.000	2.934

<r²>	75.337
(<r²>)^1/2	8.680

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)