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	hartrees
Energy at 0K	-206.613550
Energy at 298.15K
HF Energy	-206.613550
Nuclear repulsion energy	104.422759

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'	3476	3130	6.73	59.52	0.68	0.81
2	A'	3400	3061	8.51	101.70	0.23	0.37
3	A'	3362	3027	2.91	54.28	0.12	0.22
4	A'	1824	1642	4.90	139.86	0.21	0.35
5	A'	1751	1576	165.53	125.34	0.32	0.48
6	A'	1564	1409	17.08	32.64	0.38	0.55
7	A'	1412	1272	6.99	21.21	0.47	0.64
8	A'	1276	1149	47.73	42.11	0.57	0.73
9	A'	994	895	22.08	1.80	0.68	0.81
10	A'	648	583	8.22	8.37	0.32	0.48
11	A'	374	337	1.89	0.35	0.75	0.86
12	A"	1180	1062	47.16	12.97	0.75	0.86
13	A"	1106	996	50.31	3.98	0.75	0.86
14	A"	763	687	3.21	9.43	0.75	0.86
15	A"	195	176	0.03	0.89	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.193	1.243
C2	0.000	0.653
N3	-0.042	-0.779
O4	-1.163	-1.258
H5	2.094	0.659
H6	1.288	2.311
H7	-0.941	1.170

	C1	C2	N3	O4	H5	H6	H7
C1		1.3315	2.3702	3.4367	1.0733	1.0720	2.1358
C2	1.3315		1.4326	2.2372	2.0939	2.0997	1.0739
N3	2.3702	1.4326		1.2186	2.5755	3.3645	2.1464
O4	3.4367	2.2372	1.2186		3.7794	4.3299	2.4385
H5	1.0733	2.0939	2.5755	3.7794		1.8379	3.0777
H6	1.0720	2.0997	3.3645	4.3299	1.8379		2.5042
H7	2.1358	1.0739	2.1464	2.4385	3.0777	2.5042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.028	C1	C2	H7	124.883
C2	C1	H5	120.706	C2	C1	H6	121.390
C2	N3	O4	114.857	N3	C2	H7	117.089
H5	C1	H6	117.904

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/SDD

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	-0.369
2	C	-0.077
3	N	0.070
4	O	-0.290
5	H	0.220
6	H	0.212
7	H	0.234

	x	y	z	Total
	1.761	3.543	0.000	3.957
CHELPG
AIM
ESP

	x	y	z
x	6.747	2.634	0.000
y	2.634	5.352	0.000
z	0.000	0.000	1.904

<r²>	77.178
(<r²>)^1/2	8.785

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)