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	hartrees
Energy at 0K	-207.851254
Energy at 298.15K
HF Energy	-207.851254
Nuclear repulsion energy	104.863328

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'	3259	3139	0.69	61.14	0.69	0.82
2	A'	3164	3047	4.50	167.22	0.17	0.29
3	A'	3146	3030	5.37	20.44	0.75	0.86
4	A'	1690	1627	6.55	17.50	0.09	0.16
5	A'	1620	1561	124.43	67.46	0.34	0.51
6	A'	1405	1353	25.03	17.33	0.46	0.63
7	A'	1275	1228	2.18	7.32	0.46	0.63
8	A'	1144	1102	70.96	23.84	0.42	0.59
9	A'	892	859	30.81	0.25	0.62	0.76
10	A'	617	594	1.49	7.64	0.25	0.40
11	A'	345	332	1.63	0.93	0.74	0.85
12	A"	1008	971	9.15	1.73	0.75	0.86
13	A"	1006	968	50.17	1.41	0.75	0.86
14	A"	683	658	1.10	5.03	0.75	0.86
15	A"	179	173	0.08	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.213
C2	0.000	0.649
N3	-0.048	-0.776
O4	-1.173	-1.223
H5	2.088	0.579
H6	1.342	2.288
H7	-0.951	1.179

	C1	C2	N3	O4	H5	H6	H7
C1		1.3325	2.3521	3.4055	1.0853	1.0835	2.1583
C2	1.3325		1.4256	2.2086	2.0889	2.1186	1.0887
N3	2.3521	1.4256		1.2103	2.5295	3.3648	2.1532
O4	3.4055	2.2086	1.2103		3.7254	4.3185	2.4115
H5	1.0853	2.0889	2.5295	3.7254		1.8649	3.0974
H6	1.0835	2.1186	3.3648	4.3185	1.8649		2.5472
H7	2.1583	1.0887	2.1532	2.4115	3.0974	2.5472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.996	C1	C2	H7	125.808
C2	C1	H5	119.183	C2	C1	H6	122.210
C2	N3	O4	113.582	N3	C2	H7	117.195
H5	C1	H6	118.607

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/6-311G**

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	-0.182
2	C	-0.034
3	N	0.003
4	O	-0.211
5	H	0.151
6	H	0.149
7	H	0.123

	x	y	z	Total
	1.388	2.869	0.000	3.187
CHELPG
AIM
ESP

	x	y	z
x	6.635	2.098	0.000
y	2.098	6.073	0.000
z	0.000	0.000	2.401

<r²>	75.699
(<r²>)^1/2	8.701

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)