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	hartrees
Energy at 0K	-207.800446
Energy at 298.15K
HF Energy	-207.800446
Nuclear repulsion energy	104.556003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3147	0.80
2	A'	3189	3056	4.58
3	A'	3171	3039	4.29
4	A'	1703	1632	2.66
5	A'	1629	1561	118.01
6	A'	1416	1357	21.87
7	A'	1284	1230	1.38
8	A'	1155	1107	69.06
9	A'	899	862	27.58
10	A'	614	588	1.86
11	A'	341	327	1.32
12	A"	1011	969	36.66
13	A"	1002	960	18.40
14	A"	680	652	0.51
15	A"	180	172	0.09

Atom	x (Å)	y (Å)
C1	1.209	1.216
C2	0.000	0.647
N3	-0.044	-0.779
O4	-1.179	-1.224
H5	2.095	0.588
H6	1.339	2.293
H7	-0.951	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3362	2.3555	3.4139	1.0863	1.0847	2.1604
C2	1.3362		1.4261	2.2110	2.0958	2.1223	1.0897
N3	2.3555	1.4261		1.2194	2.5380	3.3687	2.1571
O4	3.4139	2.2110	1.2194		3.7418	4.3255	2.4128
H5	1.0863	2.0958	2.5380	3.7418		1.8650	3.1029
H6	1.0847	2.1223	3.3687	4.3255	1.8650		2.5475
H7	2.1604	1.0897	2.1571	2.4128	3.1029	2.5475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.981	C1	C2	H7	125.581
C2	C1	H5	119.441	C2	C1	H6	122.141
C2	N3	O4	113.165	N3	C2	H7	117.438
H5	C1	H6	118.418

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G**

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	-0.259
2	C	0.064
3	N	-0.001
4	O	-0.280
5	H	0.169
6	H	0.160
7	H	0.146

	x	y	z	Total
	1.387	2.878	0.000	3.195
CHELPG
AIM
ESP

	x	y	z
x	6.332	2.117	0.000
y	2.117	5.913	0.000
z	0.000	0.000	2.019

<r²>	75.741
(<r²>)^1/2	8.703

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)