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	hartrees
Energy at 0K	-204.975977
Energy at 298.15K
HF Energy	-204.975977
Nuclear repulsion energy	100.856616

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'	3590	3171	2.86	40.53	0.73	0.84
2	A'	3469	3063	0.04	60.59	0.19	0.32
3	A'	3427	3026	34.10	24.77	0.20	0.34
4	A'	1815	1603	4.94	16.46	0.13	0.23
5	A'	1625	1435	11.75	16.08	0.19	0.31
6	A'	1526	1348	7.76	28.36	0.43	0.60
7	A'	1353	1195	0.19	7.63	0.70	0.82
8	A'	1153	1018	31.66	13.86	0.70	0.83
9	A'	898	793	36.80	0.44	0.66	0.80
10	A'	567	500	0.01	4.62	0.33	0.50
11	A'	315	278	0.05	0.32	0.71	0.83
12	A"	1084	958	14.59	0.13	0.75	0.86
13	A"	1026	906	16.04	0.23	0.75	0.86
14	A"	621	549	0.50	4.86	0.75	0.86
15	A"	143	126	0.63	0.97	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.169	1.323
C2	0.000	0.676
N3	0.015	-0.851
O4	-1.185	-1.300
H5	2.114	0.767
H6	1.234	2.417
H7	-0.982	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3358	2.4607	3.5241	1.0964	1.0959	2.1564
C2	1.3358		1.5267	2.3040	2.1156	2.1335	1.1013
N3	2.4607	1.5267		1.2814	2.6497	3.4873	2.2566
O4	3.5241	2.3040	1.2814		3.8927	4.4343	2.4818
H5	1.0964	2.1156	2.6497	3.8927		1.8701	3.1227
H6	1.0959	2.1335	3.4873	4.4343	1.8701		2.5408
H7	2.1564	1.1013	2.2566	2.4818	3.1227	2.5408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.399	C1	C2	H7	124.177
C2	C1	H5	120.565	C2	C1	H6	122.345
C2	N3	O4	109.960	N3	C2	H7	117.424
H5	C1	H6	117.091

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/STO-3G

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	-0.146
2	C	-0.044
3	N	-0.037
4	O	-0.071
5	H	0.105
6	H	0.099
7	H	0.094

	x	y	z	Total
	0.341	1.870	0.000	1.901
CHELPG
AIM
ESP

	x	y	z
x	3.784	1.675	0.000
y	1.675	3.687	0.000
z	0.000	0.000	0.756

<r²>	79.104
(<r²>)^1/2	8.894

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)