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	hartrees
Energy at 0K	-207.836364
Energy at 298.15K
HF Energy	-207.836364
Nuclear repulsion energy	104.216316

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'	3198	3153	2.34	65.44	0.68	0.81
2	A'	3104	3061	4.32	170.81	0.13	0.22
3	A'	3081	3038	14.19	49.53	0.53	0.69
4	A'	1628	1605	1.83	23.42	0.10	0.18
5	A'	1508	1487	115.64	41.76	0.40	0.57
6	A'	1384	1364	23.82	19.29	0.44	0.61
7	A'	1258	1240	1.63	8.56	0.40	0.57
8	A'	1099	1084	71.71	20.92	0.41	0.58
9	A'	854	842	41.96	0.12	0.44	0.61
10	A'	597	588	0.27	9.69	0.22	0.36
11	A'	341	336	1.33	1.16	0.73	0.85
12	A"	983	969	27.85	0.59	0.75	0.86
13	A"	978	965	19.03	2.10	0.75	0.86
14	A"	657	648	0.64	3.76	0.75	0.86
15	A"	176	174	0.07	0.84	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.212	1.223
C2	0.000	0.653
N3	-0.046	-0.779
O4	-1.180	-1.235
H5	2.096	0.591
H6	1.344	2.299
H7	-0.950	1.188

	C1	C2	N3	O4	H5	H6	H7
C1		1.3390	2.3639	3.4293	1.0868	1.0848	2.1624
C2	1.3390		1.4325	2.2264	2.0973	2.1251	1.0907
N3	2.3639	1.4325		1.2219	2.5431	3.3774	2.1650
O4	3.4293	2.2264	1.2219		3.7507	4.3429	2.4344
H5	1.0868	2.0973	2.5431	3.7507		1.8667	3.1046
H6	1.0848	2.1251	3.3774	4.3429	1.8667		2.5488
H7	2.1624	1.0907	2.1650	2.4344	3.1046	2.5488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.024	C1	C2	H7	125.424
C2	C1	H5	119.303	C2	C1	H6	122.157
C2	N3	O4	113.781	N3	C2	H7	117.552
H5	C1	H6	118.540

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/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	-0.178
2	C	0.002
3	N	0.045
4	O	-0.192
5	H	0.120
6	H	0.127
7	H	0.076

	x	y	z	Total
	1.394	2.866	0.000	3.187
CHELPG
AIM
ESP

	x	y	z
x	7.054	2.123	0.000
y	2.123	6.785	0.000
z	0.000	0.000	2.958

<r²>	76.511
(<r²>)^1/2	8.747

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)