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	hartrees
Energy at 0K	-206.771478
Energy at 298.15K
HF Energy	-206.771478
Nuclear repulsion energy	106.388426

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'	3396	3085	1.52	54.83	0.67	0.80
2	A'	3333	3028	4.37	105.55	0.24	0.38
3	A'	3302	2999	2.00	49.93	0.11	0.19
4	A'	1898	1724	171.93	69.10	0.40	0.58
5	A'	1828	1660	7.35	129.11	0.19	0.32
6	A'	1539	1398	15.66	27.65	0.38	0.55
7	A'	1400	1271	1.07	13.42	0.25	0.40
8	A'	1267	1151	63.45	35.58	0.48	0.65
9	A'	980	890	20.57	1.39	0.75	0.86
10	A'	664	603	3.69	6.24	0.15	0.27
11	A'	385	350	2.17	0.44	0.69	0.82
12	A"	1135	1031	24.54	8.44	0.75	0.86
13	A"	1096	995	42.47	1.11	0.75	0.86
14	A"	754	685	2.73	2.89	0.75	0.86
15	A"	186	169	0.00	0.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.186	1.210
C2	0.000	0.644
N3	-0.057	-0.778
O4	-1.144	-1.216
H5	2.073	0.607
H6	1.298	2.276
H7	-0.939	1.165

	C1	C2	N3	O4	H5	H6	H7
C1		1.3137	2.3445	3.3629	1.0726	1.0716	2.1255
C2	1.3137		1.4238	2.1835	2.0734	2.0844	1.0738
N3	2.3445	1.4238		1.1714	2.5409	3.3408	2.1341
O4	3.3629	2.1835	1.1714		3.6972	4.2601	2.3893
H5	1.0726	2.0734	2.5409	3.6972		1.8399	3.0635
H6	1.0716	2.0844	3.3408	4.2601	1.8399		2.4974
H7	2.1255	1.0738	2.1341	2.3893	3.0635	2.4974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.783	C1	C2	H7	125.512
C2	C1	H5	120.319	C2	C1	H6	121.483
C2	N3	O4	114.214	N3	C2	H7	116.705
H5	C1	H6	118.199

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/cc-pVQZ

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	-0.189
2	C	-0.086
3	N	0.086
4	O	-0.253
5	H	0.144
6	H	0.156
7	H	0.142

	x	y	z	Total
	1.397	2.791	0.000	3.121
CHELPG
AIM
ESP

	x	y	z
x	6.882	2.082	0.000
y	2.082	6.025	0.000
z	0.000	0.000	3.339

<r²>	74.599
(<r²>)^1/2	8.637

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)