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	hartrees
Energy at 0K	-207.969995
Energy at 298.15K
HF Energy	-207.969995
Nuclear repulsion energy	104.845750

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'	3251	3129	0.55	59.18	0.68	0.81
2	A'	3160	3042	4.13	173.43	0.13	0.24
3	A'	3145	3027	4.98	21.85	0.74	0.85
4	A'	1679	1616	2.49	31.10	0.10	0.18
5	A'	1582	1523	132.71	70.17	0.36	0.53
6	A'	1420	1367	23.51	21.86	0.38	0.55
7	A'	1289	1241	1.29	8.74	0.33	0.49
8	A'	1144	1101	75.34	26.42	0.44	0.61
9	A'	893	860	34.93	0.55	0.68	0.81
10	A'	616	593	1.28	8.44	0.19	0.32
11	A'	354	341	1.35	0.87	0.66	0.80
12	A"	1019	981	14.98	3.29	0.75	0.86
13	A"	1007	970	39.26	0.29	0.75	0.86
14	A"	686	661	0.95	2.39	0.75	0.86
15	A"	181	174	0.06	0.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.220
C2	0.000	0.648
N3	-0.046	-0.775
O4	-1.169	-1.232
H5	2.089	0.602
H6	1.323	2.294
H7	-0.950	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3308	2.3533	3.4104	1.0821	1.0804	2.1515
C2	1.3308		1.4240	2.2135	2.0900	2.1115	1.0856
N3	2.3533	1.4240		1.2123	2.5409	3.3604	2.1487
O4	3.4104	2.2135	1.2123		3.7389	4.3171	2.4158
H5	1.0821	2.0900	2.5409	3.7389		1.8577	3.0924
H6	1.0804	2.1115	3.3604	4.3171	1.8577		2.5331
H7	2.1515	1.0856	2.1487	2.4158	3.0924	2.5331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.316	C1	C2	H7	125.536
C2	C1	H5	119.676	C2	C1	H6	121.911
C2	N3	O4	113.960	N3	C2	H7	117.148
H5	C1	H6	118.413

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/Def2TZVPP

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	-0.167
2	C	-0.029
3	N	0.071
4	O	-0.237
5	H	0.125
6	H	0.131
7	H	0.106

	x	y	z	Total
	1.426	2.965	0.000	3.290
CHELPG
AIM
ESP

	x	y	z
x	7.029	2.186	0.000
y	2.186	6.685	0.000
z	0.000	0.000	3.284

<r²>	76.041
(<r²>)^1/2	8.720

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)