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	hartrees
Energy at 0K	-207.868541
Energy at 298.15K
HF Energy	-207.868541
Nuclear repulsion energy	105.225572

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'	3278	3131	0.10	55.29	0.65	0.79
2	A'	3197	3053	3.26	133.99	0.21	0.34
3	A'	3176	3033	0.24	35.26	0.13	0.23
4	A'	1731	1653	30.86	7.20	0.03	0.05
5	A'	1689	1614	106.21	108.36	0.28	0.44
6	A'	1421	1358	20.23	19.44	0.43	0.60
7	A'	1290	1232	1.56	6.52	0.42	0.59
8	A'	1158	1106	65.12	26.67	0.47	0.64
9	A'	902	862	28.02	0.64	0.74	0.85
10	A'	625	597	1.64	6.24	0.22	0.35
11	A'	358	342	1.56	0.53	0.73	0.85
12	A"	1031	985	23.00	3.18	0.75	0.86
13	A"	1017	971	35.70	0.43	0.75	0.86
14	A"	696	665	1.91	3.56	0.75	0.86
15	A"	174	166	0.02	0.77	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.201	1.211
C2	0.000	0.652
N3	-0.049	-0.780
O4	-1.165	-1.218
H5	2.078	0.577
H6	1.334	2.283
H7	-0.951	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3241	2.3505	3.3908	1.0823	1.0801	2.1521
C2	1.3241		1.4334	2.2038	2.0792	2.1067	1.0842
N3	2.3505	1.4334		1.1996	2.5227	3.3606	2.1514
O4	3.3908	2.2038	1.1996		3.7069	4.3016	2.4004
H5	1.0823	2.0792	2.5227	3.7069		1.8607	3.0870
H6	1.0801	2.1067	3.3606	4.3016	1.8607		2.5406
H7	2.1521	1.0842	2.1514	2.4004	3.0870	2.5406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.892	C1	C2	H7	126.368
C2	C1	H5	119.203	C2	C1	H6	122.054
C2	N3	O4	113.350	N3	C2	H7	116.740
H5	C1	H6	118.743

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/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	-0.248
2	C	-0.020
3	N	0.055
4	O	-0.198
5	H	0.151
6	H	0.136
7	H	0.124

	x	y	z	Total
	1.302	2.747	0.000	3.040
CHELPG
AIM
ESP

	x	y	z
x	6.740	2.016	0.000
y	2.016	6.181	0.000
z	0.000	0.000	2.936

<r²>	75.438
(<r²>)^1/2	8.685

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)