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	hartrees
Energy at 0K	-207.855349
Energy at 298.15K
HF Energy	-207.855349
Nuclear repulsion energy	104.744682

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'	3294	3157	0.32	59.42	0.68	0.81
2	A'	3194	3061	4.82	174.36	0.13	0.23
3	A'	3177	3045	2.51	20.26	0.41	0.58
4	A'	1702	1631	8.35	27.48	0.04	0.07
5	A'	1636	1568	146.89	103.68	0.36	0.53
6	A'	1406	1348	26.89	20.84	0.39	0.56
7	A'	1279	1226	3.69	7.18	0.25	0.40
8	A'	1159	1111	79.28	25.86	0.41	0.58
9	A'	903	865	26.03	0.32	0.29	0.45
10	A'	618	592	1.74	9.54	0.11	0.20
11	A'	347	333	1.06	0.84	0.64	0.78
12	A"	1020	977	30.29	3.60	0.75	0.86
13	A"	995	953	26.59	0.45	0.75	0.86
14	A"	682	654	1.07	0.61	0.75	0.86
15	A"	182	175	0.10	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.214	1.208
C2	0.000	0.648
N3	-0.052	-0.773
O4	-1.177	-1.221
H5	2.099	0.572
H6	1.348	2.288
H7	-0.951	1.186

	C1	C2	N3	O4	H5	H6	H7
C1		1.3371	2.3513	3.4091	1.0896	1.0879	2.1655
C2	1.3371		1.4224	2.2093	2.1001	2.1228	1.0928
N3	2.3513	1.4224		1.2116	2.5366	3.3661	2.1562
O4	3.4091	2.2093	1.2116		3.7349	4.3235	2.4180
H5	1.0896	2.1001	2.5366	3.7349		1.8727	3.1112
H6	1.0879	2.1228	3.3661	4.3235	1.8727		2.5497
H7	2.1655	1.0928	2.1562	2.4180	3.1112	2.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.843	C1	C2	H7	125.743
C2	C1	H5	119.516	C2	C1	H6	121.843
C2	N3	O4	113.771	N3	C2	H7	117.414
H5	C1	H6	118.641

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/aug-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	0.450
2	C	1.022
3	N	-0.058
4	O	-0.544
5	H	-0.272
6	H	-0.293
7	H	-0.304

	x	y	z	Total
	1.472	2.990	0.000	3.333
CHELPG
AIM
ESP

	x	y	z
x	7.400	2.111	0.000
y	2.111	7.062	0.000
z	0.000	0.000	3.812

<r²>	76.016
(<r²>)^1/2	8.719

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)