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	hartrees
Energy at 0K	-207.869943
Energy at 298.15K
HF Energy	-207.869943
Nuclear repulsion energy	105.382839

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'	3276	3136	0.59	59.18	0.67	0.80
2	A'	3186	3049	4.94	171.44	0.16	0.28
3	A'	3169	3033	3.14	18.76	0.48	0.65
4	A'	1707	1634	7.95	19.09	0.08	0.15
5	A'	1641	1570	125.73	80.71	0.33	0.49
6	A'	1414	1354	22.88	18.07	0.44	0.62
7	A'	1286	1231	2.15	6.95	0.41	0.58
8	A'	1154	1104	71.77	24.33	0.44	0.61
9	A'	898	860	27.02	0.31	0.45	0.62
10	A'	617	590	1.56	7.25	0.21	0.35
11	A'	343	329	1.48	0.78	0.72	0.84
12	A"	1020	976	6.29	3.03	0.75	0.86
13	A"	1013	970	47.10	0.12	0.75	0.86
14	A"	693	663	1.11	3.49	0.75	0.86
15	A"	178	171	0.04	0.76	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.206
C2	0.000	0.647
N3	-0.048	-0.772
O4	-1.167	-1.217
H5	2.077	0.574
H6	1.336	2.276
H7	-0.947	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3251	2.3402	3.3883	1.0804	1.0785	2.1481
C2	1.3251		1.4199	2.1990	2.0786	2.1070	1.0833
N3	2.3402	1.4199		1.2036	2.5163	3.3482	2.1431
O4	3.3883	2.1990	1.2036		3.7058	4.2973	2.4006
H5	1.0804	2.0786	2.5163	3.7058		1.8569	3.0828
H6	1.0785	2.1070	3.3482	4.2973	1.8569		2.5348
H7	2.1481	1.0833	2.1431	2.4006	3.0828	2.5348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.929	C1	C2	H7	125.936
C2	C1	H5	119.211	C2	C1	H6	122.132
C2	N3	O4	113.639	N3	C2	H7	117.134
H5	C1	H6	118.657

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/cc-pVTZ

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	-0.253
2	C	-0.033
3	N	0.057
4	O	-0.195
5	H	0.152
6	H	0.156
7	H	0.116

	x	y	z	Total
	1.354	2.804	0.000	3.114
CHELPG
AIM
ESP

	x	y	z
x	6.790	2.049	0.000
y	2.049	6.328	0.000
z	0.000	0.000	2.915

<r²>	75.090
(<r²>)^1/2	8.665

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)