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	hartrees
Energy at 0K	-207.811840
Energy at 298.15K
HF Energy	-207.811840
Nuclear repulsion energy	104.938314

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'	3298	3170	0.23	64.27	0.70	0.82
2	A'	3194	3070	4.01	172.95	0.16	0.28
3	A'	3175	3052	3.24	16.90	0.63	0.77
4	A'	1722	1655	11.04	11.71	0.08	0.15
5	A'	1664	1600	111.76	75.40	0.31	0.47
6	A'	1390	1336	22.40	16.71	0.47	0.64
7	A'	1265	1216	3.88	6.30	0.60	0.75
8	A'	1150	1106	64.77	21.67	0.46	0.63
9	A'	895	861	22.46	0.28	0.34	0.51
10	A'	615	591	1.96	6.89	0.25	0.41
11	A'	336	323	1.73	0.71	0.75	0.85
12	A"	1010	971	26.05	0.53	0.75	0.86
13	A"	1002	963	18.67	2.06	0.75	0.86
14	A"	687	660	0.81	7.25	0.75	0.86
15	A"	182	174	0.02	1.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.212
C2	0.000	0.645
N3	-0.047	-0.779
O4	-1.173	-1.217
H5	2.090	0.572
H6	1.339	2.292
H7	-0.956	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3331	2.3525	3.3996	1.0905	1.0887	2.1629
C2	1.3331		1.4243	2.2001	2.0910	2.1232	1.0939
N3	2.3525	1.4243		1.2074	2.5283	3.3695	2.1559
O4	3.3996	2.2001	1.2074		3.7206	4.3154	2.4029
H5	1.0905	2.0910	2.5283	3.7206		1.8768	3.1052
H6	1.0887	2.1232	3.3695	4.3154	1.8768		2.5523
H7	2.1629	1.0939	2.1559	2.4029	3.1052	2.5523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.075	C1	C2	H7	125.761
C2	C1	H5	118.922	C2	C1	H6	122.173
C2	N3	O4	113.181	N3	C2	H7	117.164
H5	C1	H6	118.905

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/cc-pVDZ

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	0.036
2	C	0.014
3	N	-0.000
4	O	-0.181
5	H	0.056
6	H	0.062
7	H	0.014

	x	y	z	Total
	1.318	2.663	0.000	2.971
CHELPG
AIM
ESP

	x	y	z
x	6.458	2.019	0.000
y	2.019	5.853	0.000
z	0.000	0.000	2.153

<r²>	75.429
(<r²>)^1/2	8.685

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)