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	hartrees
Energy at 0K	-207.914110
Energy at 298.15K
HF Energy	-207.914110
Nuclear repulsion energy	104.271436

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	3166	0.45	61.70	0.68	0.81
2	A'	3165	3072	4.41	182.41	0.12	0.21
3	A'	3150	3057	3.56	20.04	0.70	0.82
4	A'	1674	1625	2.23	38.98	0.08	0.14
5	A'	1581	1534	145.07	85.09	0.42	0.59
6	A'	1404	1363	25.29	23.24	0.39	0.56
7	A'	1276	1239	2.29	8.87	0.24	0.38
8	A'	1143	1109	79.70	27.10	0.41	0.58
9	A'	893	866	31.17	0.35	0.63	0.78
10	A'	613	594	1.49	10.41	0.11	0.20
11	A'	351	340	1.05	0.91	0.65	0.79
12	A"	1017	987	28.39	3.64	0.75	0.86
13	A"	987	958	26.81	0.47	0.75	0.86
14	A"	677	657	0.93	0.65	0.75	0.86
15	A"	184	178	0.07	0.27	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	0.593
H6	1.338	2.302
H7	-0.955	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3409	2.3622	3.4267	1.0907	1.0893	2.1691
C2	1.3409		1.4280	2.2212	2.1069	2.1263	1.0942
N3	2.3622	1.4280		1.2204	2.5527	3.3770	2.1608
O4	3.4267	2.2212	1.2204		3.7590	4.3396	2.4259
H5	1.0907	2.1069	2.5527	3.7590		1.8736	3.1178
H6	1.0893	2.1263	3.3770	4.3396	1.8736		2.5517
H7	2.1691	1.0942	2.1608	2.4259	3.1178	2.5517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.074	C1	C2	H7	125.638
C2	C1	H5	119.749	C2	C1	H6	121.738
C2	N3	O4	113.777	N3	C2	H7	117.288
H5	C1	H6	118.513

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	0.759
2	C	1.115
3	N	-0.027
4	O	-0.529
5	H	-0.417
6	H	-0.442
7	H	-0.460

	x	y	z	Total
	1.503	3.046	0.000	3.396
CHELPG
AIM
ESP

	x	y	z
x	7.559	2.164	0.000
y	2.164	7.270	0.000
z	0.000	0.000	3.857

<r²>	76.776
(<r²>)^1/2	8.762

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)