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	hartrees
Energy at 0K	-207.873483
Energy at 298.15K
HF Energy	-207.873483
Nuclear repulsion energy	105.023099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3131	0.48
2	A'	3163	3042	4.42
3	A'	3147	3026	4.47
4	A'	1688	1623	4.88
5	A'	1610	1548	127.72
6	A'	1409	1355	24.50
7	A'	1282	1233	1.98
8	A'	1144	1100	73.44
9	A'	892	858	31.14
10	A'	615	592	1.24
11	A'	346	333	1.37
12	A"	1013	975	7.43
13	A"	1007	969	46.64
14	A"	686	659	1.00
15	A"	178	172	0.06

Atom	x (Å)	y (Å)
C1	1.204	1.212
C2	0.000	0.648
N3	-0.048	-0.774
O4	-1.170	-1.224
H5	2.086	0.583
H6	1.335	2.286
H7	-0.949	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3295	2.3478	3.4012	1.0835	1.0817	2.1526
C2	1.3295		1.4228	2.2072	2.0866	2.1132	1.0867
N3	2.3478	1.4228		1.2088	2.5284	3.3580	2.1500
O4	3.4012	2.2072	1.2088		3.7231	4.3119	2.4119
H5	1.0835	2.0866	2.5284	3.7231		1.8613	3.0920
H6	1.0817	2.1132	3.3580	4.3119	1.8613		2.5381
H7	2.1526	1.0867	2.1500	2.4119	3.0920	2.5381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.048	C1	C2	H7	125.677
C2	C1	H5	119.356	C2	C1	H6	122.090
C2	N3	O4	113.759	N3	C2	H7	117.275
H5	C1	H6	118.554

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/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	-0.201
2	C	-0.012
3	N	0.053
4	O	-0.200
5	H	0.133
6	H	0.135
7	H	0.092

	x	y	z	Total
	1.376	2.857	0.000	3.171
CHELPG
AIM
ESP

	x	y	z
x	6.852	2.094	0.000
y	2.094	6.445	0.000
z	0.000	0.000	2.936

<r²>	75.535
(<r²>)^1/2	8.691

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)