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	hartrees
Energy at 0K	-207.901984
Energy at 298.15K
HF Energy	-207.901984
Nuclear repulsion energy	105.237235

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'	3273	3136	0.22	57.60	0.67	0.80
2	A'	3182	3049	4.26	172.45	0.12	0.22
3	A'	3166	3033	2.70	17.94	0.58	0.73
4	A'	1700	1629	6.82	29.76	0.05	0.09
5	A'	1627	1559	142.09	94.88	0.37	0.54
6	A'	1417	1358	25.72	21.39	0.38	0.55
7	A'	1289	1235	2.31	8.15	0.25	0.40
8	A'	1155	1107	78.83	27.12	0.40	0.57
9	A'	901	863	30.02	0.38	0.67	0.80
10	A'	620	594	1.43	9.52	0.11	0.19
11	A'	350	335	1.07	0.77	0.66	0.80
12	A"	1019	977	11.52	3.81	0.75	0.86
13	A"	1008	966	44.50	0.19	0.75	0.86
14	A"	688	659	1.05	0.65	0.75	0.86
15	A"	178	171	0.10	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.208
C2	0.000	0.648
N3	-0.050	-0.771
O4	-1.168	-1.221
H5	2.084	0.579
H6	1.335	2.280
H7	-0.946	1.179

	C1	C2	N3	O4	H5	H6	H7
C1		1.3277	2.3428	3.3950	1.0821	1.0803	2.1501
C2	1.3277		1.4196	2.2039	2.0854	2.1087	1.0851
N3	2.3428	1.4196		1.2050	2.5256	3.3508	2.1460
O4	3.3950	2.2039	1.2050		3.7172	4.3039	2.4105
H5	1.0821	2.0854	2.5256	3.7172		1.8590	3.0893
H6	1.0803	2.1087	3.3508	4.3039	1.8590		2.5328
H7	2.1501	1.0851	2.1460	2.4105	3.0893	2.5328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.984	C1	C2	H7	125.728
C2	C1	H5	119.506	C2	C1	H6	121.921
C2	N3	O4	113.972	N3	C2	H7	117.289
H5	C1	H6	118.573

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/aug-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	-0.624
2	C	-0.074
3	N	-0.059
4	O	-0.416
5	H	0.389
6	H	0.262
7	H	0.521

	x	y	z	Total
	1.427	2.942	0.000	3.270
CHELPG
AIM
ESP

	x	y	z
x	7.336	2.041	0.000
y	2.041	7.027	0.000
z	0.000	0.000	3.835

<r²>	75.451
(<r²>)^1/2	8.686

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)