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	hartrees
Energy at 0K	-206.754273
Energy at 298.15K
HF Energy	-206.754273
Nuclear repulsion energy	106.361557

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'	3395	3084	1.25	54.09	0.68	0.81
2	A'	3332	3028	3.99	102.29	0.23	0.38
3	A'	3300	2999	1.73	45.46	0.11	0.20
4	A'	1900	1726	177.16	73.03	0.44	0.61
5	A'	1824	1657	7.67	145.02	0.16	0.28
6	A'	1537	1397	16.39	29.14	0.34	0.51
7	A'	1398	1270	0.86	14.74	0.21	0.35
8	A'	1268	1152	65.26	36.71	0.48	0.65
9	A'	979	889	20.62	1.60	0.74	0.85
10	A'	664	603	3.71	6.99	0.11	0.19
11	A'	385	349	2.06	0.40	0.64	0.78
12	A"	1133	1030	24.92	9.36	0.75	0.86
13	A"	1093	993	44.67	0.77	0.75	0.86
14	A"	753	684	2.83	1.72	0.75	0.86
15	A"	188	171	0.01	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.187	1.209
C2	0.000	0.644
N3	-0.057	-0.778
O4	-1.145	-1.215
H5	2.075	0.606
H6	1.300	2.275
H7	-0.940	1.165

	C1	C2	N3	O4	H5	H6	H7
C1		1.3145	2.3445	3.3634	1.0733	1.0723	2.1276
C2	1.3145		1.4235	2.1835	2.0752	2.0856	1.0746
N3	2.3445	1.4235		1.1718	2.5418	3.3414	2.1341
O4	3.3634	2.1835	1.1718		3.6986	4.2613	2.3889
H5	1.0733	2.0752	2.5418	3.6986		1.8406	3.0663
H6	1.0723	2.0856	3.3414	4.2613	1.8406		2.5001
H7	2.1276	1.0746	2.1341	2.3889	3.0663	2.5001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.740	C1	C2	H7	125.585
C2	C1	H5	120.370	C2	C1	H6	121.478
C2	N3	O4	114.210	N3	C2	H7	116.675
H5	C1	H6	118.152

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.215
2	C	0.385
3	N	-0.185
4	O	-0.459
5	H	0.160
6	H	0.159
7	H	0.156

	x	y	z	Total
	1.419	2.823	0.000	3.160
CHELPG
AIM
ESP

	x	y	z
x	7.007	2.063	0.000
y	2.063	6.223	0.000
z	0.000	0.000	3.706

<r²>	74.678
(<r²>)^1/2	8.642

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)