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	hartrees
Energy at 0K	-207.427106
Energy at 298.15K
HF Energy	-206.696196
Nuclear repulsion energy	104.607847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3130	0.45
2	A'	3237	3060	2.68
3	A'	3208	3034	0.21
4	A'	1711	1618	1.84
5	A'	1646	1556	66.63
6	A'	1438	1360	11.93
7	A'	1302	1231	0.86
8	A'	1173	1109	46.46
9	A'	906	857	20.62
10	A'	617	583	1.19
11	A'	345	326	1.37
12	A"	1024	969	31.08
13	A"	1006	951	16.64
14	A"	693	656	0.60
15	A"	169	159	0.02

Atom	x (Å)	y (Å)
C1	1.201	1.226
C2	0.000	0.648
N3	-0.040	-0.790
O4	-1.172	-1.224
H5	2.093	0.612
H6	1.318	2.301
H7	-0.957	1.160

	C1	C2	N3	O4	H5	H6	H7
C1		1.3324	2.3668	3.4109	1.0832	1.0819	2.1585
C2	1.3324		1.4386	2.2092	2.0934	2.1141	1.0849
N3	2.3668	1.4386		1.2129	2.5522	3.3762	2.1543
O4	3.4109	2.2092	1.2129		3.7461	4.3164	2.3938
H5	1.0832	2.0934	2.5522	3.7461		1.8591	3.0987
H6	1.0819	2.1141	3.3762	4.3164	1.8591		2.5450
H7	2.1585	1.0849	2.1543	2.3938	3.0987	2.5450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.275	C1	C2	H7	126.183
C2	C1	H5	119.778	C2	C1	H6	121.897
C2	N3	O4	112.586	N3	C2	H7	116.542
H5	C1	H6	118.325

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: CCSD/6-31G(2df,p)

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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All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)