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	hartrees
Energy at 0K	-207.767454
Energy at 298.15K
HF Energy	-207.767454
Nuclear repulsion energy	101.986989

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'	3201	3177	4.08	66.97	0.68	0.81
2	A'	3108	3084	4.97	159.85	0.13	0.23
3	A'	3088	3064	10.16	33.34	0.64	0.78
4	A'	1620	1608	3.79	22.88	0.15	0.27
5	A'	1415	1404	14.19	17.86	0.37	0.54
6	A'	1325	1315	59.57	23.23	0.33	0.50
7	A'	1270	1260	4.78	13.99	0.43	0.60
8	A'	1096	1088	58.23	21.80	0.51	0.68
9	A'	849	843	40.28	0.10	0.74	0.85
10	A'	584	580	1.57	10.59	0.30	0.46
11	A'	332	329	1.43	0.66	0.68	0.81
12	A"	993	986	54.99	0.06	0.75	0.86
13	A"	990	983	2.08	1.45	0.75	0.86
14	A"	653	648	0.26	9.03	0.75	0.86
15	A"	191	190	0.19	1.20	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.262
C2	0.000	0.662
N3	-0.018	-0.788
O4	-1.204	-1.275
H5	2.120	0.651
H6	1.326	2.348
H7	-0.965	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3537	2.3918	3.5045	1.0933	1.0916	2.1799
C2	1.3537		1.4502	2.2808	2.1204	2.1447	1.0962
N3	2.3918	1.4502		1.2819	2.5783	3.4119	2.1856
O4	3.5045	2.2808	1.2819		3.8425	4.4188	2.4685
H5	1.0933	2.1204	2.5783	3.8425		1.8730	3.1307
H6	1.0916	2.1447	3.4119	4.4188	1.8730		2.5705
H7	2.1799	1.0962	2.1856	2.4685	3.1307	2.5705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.042	C1	C2	H7	125.372
C2	C1	H5	119.746	C2	C1	H6	122.228
C2	N3	O4	113.052	N3	C2	H7	117.585
H5	C1	H6	118.026

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/6-31G

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	-0.210
2	C	0.060
3	N	-0.026
4	O	-0.271
5	H	0.158
6	H	0.147
7	H	0.141

	x	y	z	Total
	1.541	3.317	0.000	3.657
CHELPG
AIM
ESP

	x	y	z
x	6.452	2.353	0.000
y	2.353	6.231	0.000
z	0.000	0.000	1.745

<r²>	78.994
(<r²>)^1/2	8.888

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)