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	hartrees
Energy at 0K	-205.225694
Energy at 298.15K
HF Energy	-205.225694
Nuclear repulsion energy	100.002280

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'	3542	3542	1.36	43.66	0.73	0.84
2	A'	3418	3418	0.30	69.13	0.17	0.30
3	A'	3382	3382	25.13	25.05	0.25	0.40
4	A'	1776	1776	5.75	14.67	0.14	0.24
5	A'	1550	1550	7.69	6.64	0.13	0.22
6	A'	1518	1518	8.46	37.44	0.37	0.54
7	A'	1344	1344	0.45	7.72	0.71	0.83
8	A'	1124	1124	29.84	13.89	0.70	0.82
9	A'	861	861	43.08	0.72	0.69	0.82
10	A'	540	540	0.34	5.19	0.32	0.49
11	A'	302	302	0.04	0.38	0.70	0.82
12	A"	1070	1070	15.03	0.08	0.75	0.86
13	A"	998	998	12.68	0.14	0.75	0.86
14	A"	585	585	0.58	4.49	0.75	0.86
15	A"	140	140	0.66	0.99	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.174	1.337
C2	0.000	0.684
N3	0.019	-0.861
O4	-1.194	-1.313
H5	2.124	0.783
H6	1.237	2.435
H7	-0.985	1.185

	C1	C2	N3	O4	H5	H6	H7
C1		1.3429	2.4820	3.5534	1.0999	1.0998	2.1643
C2	1.3429		1.5447	2.3268	2.1264	2.1437	1.1052
N3	2.4820	1.5447		1.2952	2.6705	3.5131	2.2786
O4	3.5534	2.3268	1.2952		3.9249	4.4673	2.5061
H5	1.0999	2.1264	2.6705	3.9249		1.8744	3.1353
H6	1.0998	2.1437	3.5131	4.4673	1.8744		2.5502
H7	2.1643	1.1052	2.2786	2.5061	3.1353	2.5502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.360	C1	C2	H7	123.993
C2	C1	H5	120.707	C2	C1	H6	122.404
C2	N3	O4	109.719	N3	C2	H7	117.647
H5	C1	H6	116.889

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/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	-0.128
2	C	-0.036
3	N	-0.038
4	O	-0.065
5	H	0.094
6	H	0.088
7	H	0.084

	x	y	z	Total
	0.301	1.793	0.000	1.818
CHELPG
AIM
ESP

	x	y	z
x	3.844	1.719	0.000
y	1.719	3.871	0.000
z	0.000	0.000	0.762

<r²>	80.245
(<r²>)^1/2	8.958

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)