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	hartrees
Energy at 0K	-207.819955
Energy at 298.15K
HF Energy	-207.819955
Nuclear repulsion energy	104.955117

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'	3281	3281	0.60	56.14	0.68	0.81
2	A'	3196	3196	5.00	132.78	0.19	0.32
3	A'	3174	3174	1.80	24.97	0.20	0.33
4	A'	1724	1724	7.78	13.28	0.11	0.20
5	A'	1674	1674	115.14	82.17	0.28	0.43
6	A'	1422	1422	21.33	19.70	0.41	0.58
7	A'	1289	1289	1.68	6.70	0.50	0.67
8	A'	1163	1163	65.13	22.83	0.50	0.67
9	A'	903	903	27.42	0.19	0.58	0.74
10	A'	622	622	1.33	6.28	0.22	0.36
11	A'	346	346	1.37	0.59	0.65	0.79
12	A"	1024	1024	0.71	1.66	0.75	0.86
13	A"	1023	1023	47.24	0.10	0.75	0.86
14	A"	693	693	0.55	5.76	0.75	0.86
15	A"	175	175	0.07	1.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.200	1.217
C2	0.000	0.648
N3	-0.045	-0.781
O4	-1.169	-1.223
H5	2.088	0.593
H6	1.327	2.293
H7	-0.953	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3280	2.3543	3.4001	1.0851	1.0834	2.1541
C2	1.3280		1.4304	2.2059	2.0890	2.1129	1.0875
N3	2.3543	1.4304		1.2070	2.5376	3.3662	2.1539
O4	3.4001	2.2059	1.2070		3.7286	4.3109	2.4039
H5	1.0851	2.0890	2.5376	3.7286		1.8623	3.0961
H6	1.0834	2.1129	3.3662	4.3109	1.8623		2.5409
H7	2.1541	1.0875	2.1539	2.4039	3.0961	2.5409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.141	C1	C2	H7	125.901
C2	C1	H5	119.581	C2	C1	H6	122.055
C2	N3	O4	113.247	N3	C2	H7	116.958
H5	C1	H6	118.364

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.336
2	C	0.057
3	N	0.030
4	O	-0.247
5	H	0.175
6	H	0.173
7	H	0.148

	x	y	z	Total
	1.268	2.739	0.000	3.018
CHELPG
AIM
ESP

	x	y	z
x	6.367	2.009	0.000
y	2.009	5.986	0.000
z	0.000	0.000	2.491

<r²>	75.320
(<r²>)^1/2	8.679

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)