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	hartrees
Energy at 0K	-207.640847
Energy at 298.15K
HF Energy	-207.640847
Nuclear repulsion energy	104.786526

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'	3303	3139	0.70	59.48	0.69	0.81
2	A'	3212	3052	4.15	149.26	0.15	0.27
3	A'	3194	3035	3.94	15.72	0.72	0.84
4	A'	1723	1637	5.26	12.78	0.12	0.22
5	A'	1662	1579	119.18	71.68	0.28	0.44
6	A'	1431	1359	22.21	20.15	0.40	0.57
7	A'	1297	1232	1.53	7.14	0.53	0.69
8	A'	1172	1114	68.99	22.37	0.50	0.67
9	A'	911	866	25.97	0.10	0.38	0.55
10	A'	621	590	2.22	6.93	0.27	0.42
11	A'	345	328	1.31	0.66	0.67	0.81
12	A"	1019	968	39.16	0.12	0.75	0.86
13	A"	1007	957	19.19	1.66	0.75	0.86
14	A"	687	653	0.63	7.94	0.75	0.86
15	A"	180	171	0.10	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.208	1.213
C2	0.000	0.645
N3	-0.045	-0.777
O4	-1.177	-1.219
H5	2.094	0.584
H6	1.340	2.290
H7	-0.952	1.175

	C1	C2	N3	O4	H5	H6	H7
C1		1.3347	2.3515	3.4054	1.0867	1.0851	2.1602
C2	1.3347		1.4228	2.2037	2.0949	2.1217	1.0898
N3	2.3515	1.4228		1.2149	2.5353	3.3652	2.1528
O4	3.4054	2.2037	1.2149		3.7346	4.3176	2.4040
H5	1.0867	2.0949	2.5353	3.7346		1.8650	3.1030
H6	1.0851	2.1217	3.3652	4.3176	1.8650		2.5488
H7	2.1602	1.0898	2.1528	2.4040	3.1030	2.5488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.994	C1	C2	H7	125.697
C2	C1	H5	119.457	C2	C1	H6	122.186
C2	N3	O4	113.096	N3	C2	H7	117.309
H5	C1	H6	118.357

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/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	-0.361
2	C	0.021
3	N	0.009
4	O	-0.281
5	H	0.214
6	H	0.205
7	H	0.192

	x	y	z	Total
	1.379	2.853	0.000	3.169
CHELPG
AIM
ESP

	x	y	z
x	6.274	2.100	0.000
y	2.100	5.816	0.000
z	0.000	0.000	1.980

<r²>	75.501
(<r²>)^1/2	8.689

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)