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	hartrees
Energy at 0K	-204.012010
Energy at 298.15K
HF Energy	-204.012010
Nuclear repulsion energy	103.031605

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'	3814	3114	3.21	43.93	0.74	0.85
2	A'	3710	3029	2.53	50.18	0.25	0.40
3	A'	3650	2981	56.31	27.57	0.15	0.26
4	A'	2017	1647	1.73	25.93	0.14	0.24
5	A'	1956	1597	11.69	39.80	0.26	0.42
6	A'	1664	1359	2.27	26.68	0.50	0.67
7	A'	1486	1213	2.55	12.00	0.56	0.72
8	A'	1298	1059	31.88	13.57	0.74	0.85
9	A'	1024	836	13.90	0.68	0.34	0.51
10	A'	635	518	2.28	4.31	0.35	0.51
11	A'	361	295	0.31	0.24	0.74	0.85
12	A"	1203	983	9.91	0.77	0.75	0.86
13	A"	1174	959	13.43	1.09	0.75	0.86
14	A"	739	603	0.01	8.01	0.75	0.86
15	A"	145	118	0.39	1.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.142	1.308
C2	0.000	0.663
N3	0.004	-0.835
O4	-1.147	-1.286
H5	2.086	0.776
H6	1.192	2.389
H7	-0.974	1.144

	C1	C2	N3	O4	H5	H6	H7
C1		1.3113	2.4263	3.4596	1.0834	1.0829	2.1221
C2	1.3113		1.4979	2.2617	2.0886	2.0981	1.0863
N3	2.4263	1.4979		1.2362	2.6323	3.4365	2.2074
O4	3.4596	2.2617	1.2362		3.8344	4.3569	2.4364
H5	1.0834	2.0886	2.6323	3.8344		1.8446	3.0816
H6	1.0829	2.0981	3.4365	4.3569	1.8446		2.4985
H7	2.1221	1.0863	2.2074	2.4364	3.0816	2.4985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	119.316	C1	C2	H7	124.253
C2	C1	H5	121.132	C2	C1	H6	122.112
C2	N3	O4	111.261	N3	C2	H7	116.432
H5	C1	H6	116.755

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/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	-0.108
2	C	-0.019
3	N	-0.026
4	O	-0.093
5	H	0.088
6	H	0.081
7	H	0.077

	x	y	z	Total
	0.425	1.950	0.000	1.996
CHELPG
AIM
ESP

	x	y	z
x	3.957	1.693	0.000
y	1.693	3.345	0.000
z	0.000	0.000	0.703

<r²>	77.023
(<r²>)^1/2	8.776

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)