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	hartrees
Energy at 0K	-38.801051
Energy at 298.15K
HF Energy	-38.801051
Nuclear repulsion energy	54.846081

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'	3306	3306	13.87	73.26	0.67	0.80
2	A'	3210	3210	14.37	163.10	0.20	0.34
3	A'	3187	3187	8.84	37.58	0.31	0.47
4	A'	1700	1700	5.97	81.93	0.19	0.32
5	A'	1514	1514	111.76	82.67	0.30	0.46
6	A'	1432	1432	28.40	26.88	0.43	0.60
7	A'	1286	1286	0.65	11.23	0.41	0.58
8	A'	1158	1158	70.75	33.50	0.59	0.74
9	A'	908	908	35.01	1.01	0.63	0.77
10	A'	599	599	4.36	9.08	0.34	0.51
11	A'	340	340	1.11	1.14	0.67	0.80
12	A"	1047	1047	49.77	9.84	0.75	0.86
13	A"	1014	1014	56.86	2.63	0.75	0.86
14	A"	686	686	1.94	4.57	0.75	0.86
15	A"	184	184	0.43	1.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.241	1.242
C2	0.000	0.666
N3	-0.037	-0.789
O4	-1.216	-1.258
H5	2.132	0.612
H6	1.364	2.326
H7	-0.956	1.197

	C1	C2	N3	O4	H5	H6	H7
C1		1.3678	2.3987	3.5044	1.0917	1.0910	2.1969
C2	1.3678		1.4549	2.2755	2.1329	2.1482	1.0935
N3	2.3987	1.4549		1.2690	2.5817	3.4147	2.1880
O4	3.5044	2.2755	1.2690		3.8345	4.4152	2.4682
H5	1.0917	2.1329	2.5817	3.8345		1.8784	3.1430
H6	1.0910	2.1482	3.4147	4.4152	1.8784		2.5797
H7	2.1969	1.0935	2.1880	2.4682	3.1430	2.5797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.345	C1	C2	H7	126.045
C2	C1	H5	119.854	C2	C1	H6	121.379
C2	N3	O4	113.133	N3	C2	H7	117.610
H5	C1	H6	118.767

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/CEP-31G

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	-0.402
2	C	-0.136
3	N	0.019
4	O	-0.180
5	H	0.218
6	H	0.203
7	H	0.278

	x	y	z	Total
	1.698	3.650	0.000	4.025
CHELPG
AIM
ESP

	x	y	z
x	6.934	2.853	0.000
y	2.853	5.816	0.000
z	0.000	0.000	2.093

<r²>	64.613
(<r²>)^1/2	8.038

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)