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	hartrees
Energy at 0K	-207.859690
Energy at 298.15K
HF Energy	-207.859690
Nuclear repulsion energy	105.000390

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'	3268	3126	0.78	59.97	0.69	0.81
2	A'	3179	3041	5.48	154.75	0.20	0.34
3	A'	3160	3022	2.58	20.28	0.30	0.47
4	A'	1718	1644	10.13	17.36	0.09	0.16
5	A'	1671	1598	123.13	85.08	0.32	0.49
6	A'	1417	1355	24.23	18.61	0.46	0.63
7	A'	1287	1231	2.06	7.12	0.46	0.63
8	A'	1159	1109	68.06	26.22	0.43	0.60
9	A'	903	864	30.56	0.53	0.75	0.86
10	A'	624	597	1.40	6.52	0.25	0.40
11	A'	353	337	1.75	0.68	0.74	0.85
12	A"	1024	979	19.97	3.30	0.75	0.86
13	A"	1014	970	42.60	0.34	0.75	0.86
14	A"	691	661	1.59	5.51	0.75	0.86
15	A"	172	165	0.05	1.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.214
C2	0.000	0.650
N3	-0.047	-0.780
O4	-1.168	-1.222
H5	2.085	0.585
H6	1.331	2.289
H7	-0.952	1.176

	C1	C2	N3	O4	H5	H6	H7
C1		1.3279	2.3533	3.3993	1.0847	1.0828	2.1545
C2	1.3279		1.4309	2.2071	2.0864	2.1116	1.0874
N3	2.3533	1.4309		1.2049	2.5319	3.3646	2.1549
O4	3.3993	2.2071	1.2049		3.7216	4.3103	2.4080
H5	1.0847	2.0864	2.5319	3.7216		1.8641	3.0943
H6	1.0828	2.1116	3.3646	4.3103	1.8641		2.5402
H7	2.1545	1.0874	2.1549	2.4080	3.0943	2.5402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.032	C1	C2	H7	125.959
C2	C1	H5	119.378	C2	C1	H6	121.980
C2	N3	O4	113.442	N3	C2	H7	117.009
H5	C1	H6	118.642

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-311G**

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	-0.188
2	C	-0.052
3	N	0.017
4	O	-0.209
5	H	0.152
6	H	0.149
7	H	0.130

	x	y	z	Total
	1.354	2.818	0.000	3.126
CHELPG
AIM
ESP

	x	y	z
x	6.599	2.084	0.000
y	2.084	5.914	0.000
z	0.000	0.000	2.398

<r²>	75.584
(<r²>)^1/2	8.694

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)