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	hartrees
Energy at 0K	-207.892070
Energy at 298.15K
HF Energy	-207.892070
Nuclear repulsion energy	103.506295

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'	3165	3153	2.48	70.56	0.69	0.82
2	A'	3073	3061	3.24	158.22	0.14	0.25
3	A'	3047	3035	14.69	60.97	0.48	0.65
4	A'	1607	1601	1.52	21.30	0.12	0.21
5	A'	1462	1456	96.58	30.92	0.45	0.62
6	A'	1371	1366	26.12	20.01	0.46	0.63
7	A'	1240	1235	2.23	8.80	0.45	0.62
8	A'	1084	1080	64.84	21.85	0.40	0.57
9	A'	842	839	41.98	0.15	0.71	0.83
10	A'	589	587	0.37	9.52	0.25	0.40
11	A'	337	336	1.68	1.27	0.75	0.86
12	A"	977	973	29.74	0.73	0.75	0.86
13	A"	966	963	19.71	1.56	0.75	0.86
14	A"	652	649	0.69	5.83	0.75	0.86
15	A"	178	178	0.07	1.12	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.237
C2	0.000	0.656
N3	-0.039	-0.785
O4	-1.186	-1.246
H5	2.104	0.607
H6	1.341	2.318
H7	-0.961	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3450	2.3779	3.4522	1.0909	1.0889	2.1743
C2	1.3450		1.4411	2.2409	2.1047	2.1356	1.0952
N3	2.3779	1.4411		1.2363	2.5557	3.3959	2.1720
O4	3.4522	2.2409	1.2363		3.7763	4.3685	2.4378
H5	1.0909	2.1047	2.5557	3.7763		1.8733	3.1181
H6	1.0889	2.1356	3.3959	4.3685	1.8733		2.5664
H7	2.1743	1.0952	2.1720	2.4378	3.1181	2.5664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.140	C1	C2	H7	125.694
C2	C1	H5	119.181	C2	C1	H6	122.319
C2	N3	O4	113.417	N3	C2	H7	117.166
H5	C1	H6	118.500

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/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	-0.149
2	C	-0.007
3	N	-0.003
4	O	-0.193
5	H	0.127
6	H	0.130
7	H	0.096

	x	y	z	Total
	1.387	2.859	0.000	3.178
CHELPG
AIM
ESP

	x	y	z
x	6.869	2.120	0.000
y	2.120	6.500	0.000
z	0.000	0.000	2.412

<r²>	77.433
(<r²>)^1/2	8.800

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)