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	hartrees
Energy at 0K	-207.965570
Energy at 298.15K
HF Energy	-207.965570
Nuclear repulsion energy	104.823145

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'	3246	3246	0.42	59.37	0.67	0.81
2	A'	3157	3157	3.60	172.06	0.11	0.19
3	A'	3141	3141	4.63	24.18	0.72	0.83
4	A'	1675	1675	2.12	40.03	0.08	0.15
5	A'	1572	1572	138.98	76.62	0.43	0.60
6	A'	1420	1420	24.71	24.34	0.37	0.54
7	A'	1288	1288	1.43	10.00	0.24	0.38
8	A'	1142	1142	78.52	28.44	0.38	0.56
9	A'	893	893	35.54	0.60	0.72	0.84
10	A'	615	615	1.20	10.59	0.10	0.18
11	A'	354	354	1.03	0.81	0.69	0.81
12	A"	1017	1017	12.97	3.98	0.75	0.86
13	A"	1003	1003	41.09	0.23	0.75	0.86
14	A"	684	684	0.95	0.63	0.75	0.86
15	A"	182	182	0.08	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.220
C2	0.000	0.649
N3	-0.046	-0.774
O4	-1.169	-1.233
H5	2.090	0.603
H6	1.322	2.294
H7	-0.949	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3309	2.3525	3.4118	1.0819	1.0802	2.1514
C2	1.3309		1.4234	2.2154	2.0908	2.1105	1.0853
N3	2.3525	1.4234		1.2132	2.5415	3.3590	2.1482
O4	3.4118	2.2154	1.2132		3.7408	4.3180	2.4185
H5	1.0819	2.0908	2.5415	3.7408		1.8573	3.0928
H6	1.0802	2.1105	3.3590	4.3180	1.8573		2.5317
H7	2.1514	1.0853	2.1482	2.4185	3.0928	2.5317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.284	C1	C2	H7	125.549
C2	C1	H5	119.767	C2	C1	H6	121.822
C2	N3	O4	114.098	N3	C2	H7	117.167
H5	C1	H6	118.411

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/daug-cc-pVTZ

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	-1.046
2	C	0.079
3	N	-0.352
4	O	-0.720
5	H	0.493
6	H	0.345
7	H	1.201

	x	y	z	Total
	1.464	3.013	0.000	3.350
CHELPG
AIM
ESP

	x	y	z
x	7.492	2.076	0.000
y	2.076	7.245	0.000
z	0.000	0.000	3.942

<r²>	76.155
(<r²>)^1/2	8.727

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)