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	hartrees
Energy at 0K	-207.915052
Energy at 298.15K
HF Energy	-207.915052
Nuclear repulsion energy	104.284542

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'	3263	3263	0.47	61.46	0.69	0.81
2	A'	3164	3164	4.67	181.74	0.12	0.22
3	A'	3148	3148	3.38	19.72	0.62	0.77
4	A'	1673	1673	2.13	40.55	0.08	0.14
5	A'	1578	1578	144.25	83.17	0.41	0.58
6	A'	1406	1406	25.27	23.46	0.37	0.54
7	A'	1279	1279	2.02	9.18	0.24	0.39
8	A'	1143	1143	79.99	27.12	0.39	0.57
9	A'	894	894	30.80	0.32	0.69	0.82
10	A'	614	614	1.49	10.89	0.10	0.19
11	A'	352	352	1.02	0.87	0.67	0.81
12	A"	1035	1035	16.65	3.59	0.75	0.86
13	A"	1003	1003	38.01	0.25	0.75	0.86
14	A"	682	682	0.94	0.70	0.75	0.86
15	A"	186	186	0.08	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.214	1.220
C2	0.000	0.650
N3	-0.047	-0.777
O4	-1.180	-1.232
H5	2.106	0.594
H6	1.337	2.301
H7	-0.954	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3410	2.3616	3.4267	1.0898	1.0884	2.1684
C2	1.3410		1.4273	2.2211	2.1066	2.1251	1.0934
N3	2.3616	1.4273		1.2207	2.5527	3.3752	2.1597
O4	3.4267	2.2211	1.2207		3.7593	4.3384	2.4258
H5	1.0898	2.1066	2.5527	3.7593		1.8721	3.1164
H6	1.0884	2.1251	3.3752	4.3384	1.8721		2.5499
H7	2.1684	1.0934	2.1597	2.4258	3.1164	2.5499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.070	C1	C2	H7	125.626
C2	C1	H5	119.789	C2	C1	H6	121.690
C2	N3	O4	113.798	N3	C2	H7	117.304
H5	C1	H6	118.522

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/daug-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	0.524
2	C	2.291
3	N	0.281
4	O	-0.371
5	H	-0.861
6	H	-0.910
7	H	-0.953

	x	y	z	Total
	1.504	3.043	0.000	3.395
CHELPG
AIM
ESP

	x	y	z
x	7.611	2.125	0.000
y	2.125	7.340	0.000
z	0.000	0.000	3.966

<r²>	76.753
(<r²>)^1/2	8.761

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)