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	hartrees
Energy at 0K	-207.838344
Energy at 298.15K
HF Energy	-207.838344
Nuclear repulsion energy	104.665373

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'	3283	3283	0.53	57.33	0.67	0.80
2	A'	3190	3190	5.29	147.07	0.16	0.28
3	A'	3168	3168	1.73	36.36	0.12	0.22
4	A'	1712	1712	7.76	33.20	0.05	0.10
5	A'	1658	1658	147.49	114.83	0.34	0.51
6	A'	1411	1411	26.32	21.72	0.37	0.54
7	A'	1286	1286	2.71	7.59	0.26	0.41
8	A'	1161	1161	77.03	27.77	0.42	0.59
9	A'	905	905	28.01	0.49	0.70	0.82
10	A'	621	621	1.28	8.98	0.10	0.18
11	A'	355	355	1.24	0.64	0.63	0.78
12	A"	1040	1040	17.82	4.35	0.75	0.86
13	A"	1009	1009	41.53	0.17	0.75	0.86
14	A"	689	689	1.39	0.79	0.75	0.86
15	A"	177	177	0.08	0.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.212	1.211
C2	0.000	0.651
N3	-0.050	-0.778
O4	-1.176	-1.224
H5	2.100	0.579
H6	1.340	2.292
H7	-0.952	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3349	2.3557	3.4101	1.0899	1.0883	2.1642
C2	1.3349		1.4297	2.2129	2.1008	2.1189	1.0927
N3	2.3557	1.4297		1.2104	2.5425	3.3701	2.1616
O4	3.4101	2.2129	1.2104		3.7388	4.3234	2.4208
H5	1.0899	2.1008	2.5425	3.7388		1.8733	3.1119
H6	1.0883	2.1189	3.3701	4.3234	1.8733		2.5454
H7	2.1642	1.0927	2.1616	2.4208	3.1119	2.5454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.840	C1	C2	H7	125.830
C2	C1	H5	119.741	C2	C1	H6	121.619
C2	N3	O4	113.647	N3	C2	H7	117.330
H5	C1	H6	118.639

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/daug-cc-pVDZ

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	0.248
2	C	2.018
3	N	0.183
4	O	-0.298
5	H	-0.665
6	H	-0.722
7	H	-0.763

	x	y	z	Total
	1.435	2.951	0.000	3.281
CHELPG
AIM
ESP

	x	y	z
x	7.454	2.062	0.000
y	2.062	7.070	0.000
z	0.000	0.000	3.969

<r²>	76.119
(<r²>)^1/2	8.725

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)