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	hartrees
Energy at 0K	-207.973418
Energy at 298.15K
HF Energy	-207.973418
Nuclear repulsion energy	104.646239

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'	3244	3244	1.18	61.09	0.68	0.81
2	A'	3154	3154	5.17	180.78	0.13	0.24
3	A'	3138	3138	6.27	22.19	0.75	0.86
4	A'	1669	1669	1.82	31.16	0.09	0.17
5	A'	1555	1555	124.16	59.56	0.36	0.53
6	A'	1421	1421	23.16	23.49	0.37	0.54
7	A'	1286	1286	1.28	8.30	0.33	0.49
8	A'	1137	1137	78.00	25.40	0.45	0.62
9	A'	885	885	33.39	0.39	0.34	0.51
10	A'	602	602	1.14	8.59	0.19	0.33
11	A'	337	337	1.35	0.93	0.66	0.80
12	A"	1014	1014	38.30	1.92	0.75	0.86
13	A"	1010	1010	13.33	1.26	0.75	0.86
14	A"	680	680	0.72	2.33	0.75	0.86
15	A"	180	180	0.08	0.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.210	1.213
C2	0.000	0.650
N3	-0.047	-0.774
O4	-1.177	-1.227
H5	2.091	0.583
H6	1.344	2.287
H7	-0.948	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3341	2.3508	3.4134	1.0837	1.0821	2.1576
C2	1.3341		1.4250	2.2159	2.0920	2.1179	1.0869
N3	2.3508	1.4250		1.2181	2.5316	3.3619	2.1539
O4	3.4134	2.2159	1.2181		3.7357	4.3250	2.4202
H5	1.0837	2.0920	2.5316	3.7357		1.8606	3.0974
H6	1.0821	2.1179	3.3619	4.3250	1.8606		2.5444
H7	2.1576	1.0869	2.1539	2.4202	3.0974	2.5444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.826	C1	C2	H7	125.741
C2	C1	H5	119.467	C2	C1	H6	122.109
C2	N3	O4	113.708	N3	C2	H7	117.433
H5	C1	H6	118.424

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/Def2TZVPP

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	-0.068
2	C	-0.015
3	N	0.078
4	O	-0.241
5	H	0.087
6	H	0.093
7	H	0.065

	x	y	z	Total
	1.425	2.951	0.000	3.277
CHELPG
AIM
ESP

	x	y	z
x	7.057	2.189	0.000
y	2.189	6.728	0.000
z	0.000	0.000	3.263

<r²>	76.000
(<r²>)^1/2	8.718

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)