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	hartrees
Energy at 0K	-207.965025
Energy at 298.15K
HF Energy	-207.965025
Nuclear repulsion energy	104.618089

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'	3243	3140	1.33	62.47	0.68	0.81
2	A'	3154	3054	5.16	179.69	0.15	0.26
3	A'	3136	3037	6.14	22.16	0.74	0.85
4	A'	1669	1616	1.87	27.85	0.11	0.20
5	A'	1556	1507	118.46	53.94	0.37	0.54
6	A'	1420	1375	22.81	21.91	0.41	0.58
7	A'	1286	1246	1.57	7.99	0.39	0.56
8	A'	1135	1099	74.27	24.57	0.43	0.60
9	A'	882	854	33.15	0.27	0.44	0.61
10	A'	602	583	1.02	8.26	0.22	0.36
11	A'	335	324	1.40	0.95	0.72	0.84
12	A"	1014	982	49.07	0.88	0.75	0.86
13	A"	1010	978	1.86	2.18	0.75	0.86
14	A"	681	659	0.75	3.47	0.75	0.86
15	A"	180	174	0.05	0.77	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.214
C2	0.000	0.651
N3	-0.045	-0.775
O4	-1.178	-1.227
H5	2.089	0.582
H6	1.345	2.288
H7	-0.949	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3336	2.3518	3.4133	1.0837	1.0821	2.1577
C2	1.3336		1.4269	2.2161	2.0905	2.1182	1.0867
N3	2.3518	1.4269		1.2186	2.5300	3.3636	2.1548
O4	3.4133	2.2161	1.2186		3.7342	4.3255	2.4183
H5	1.0837	2.0905	2.5300	3.7342		1.8607	3.0964
H6	1.0821	2.1182	3.3636	4.3255	1.8607		2.5463
H7	2.1577	1.0867	2.1548	2.4183	3.0964	2.5463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.807	C1	C2	H7	125.821
C2	C1	H5	119.363	C2	C1	H6	122.195
C2	N3	O4	113.552	N3	C2	H7	117.372
H5	C1	H6	118.441

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/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	-0.162
2	C	0.004
3	N	0.049
4	O	-0.206
5	H	0.116
6	H	0.121
7	H	0.078

	x	y	z	Total
	1.393	2.872	0.000	3.192
CHELPG
AIM
ESP

	x	y	z
x	6.927	2.121	0.000
y	2.121	6.558	0.000
z	0.000	0.000	2.932

<r²>	75.944
(<r²>)^1/2	8.715

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)