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	hartrees
Energy at 0K	-207.843769
Energy at 298.15K
HF Energy	-207.843769
Nuclear repulsion energy	105.215780

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'	3281	3146	2.24	60.69	0.69	0.82
2	A'	3189	3057	6.28	161.79	0.19	0.32
3	A'	3172	3041	6.07	17.30	0.58	0.74
4	A'	1716	1645	8.12	15.59	0.08	0.15
5	A'	1654	1585	124.00	73.50	0.34	0.50
6	A'	1421	1363	23.00	17.62	0.46	0.63
7	A'	1291	1237	2.01	7.50	0.45	0.62
8	A'	1163	1114	69.82	24.37	0.42	0.59
9	A'	904	867	28.70	0.24	0.64	0.78
10	A'	621	596	1.83	7.13	0.25	0.40
11	A'	345	331	1.70	0.83	0.75	0.85
12	A"	1013	971	34.11	0.49	0.75	0.86
13	A"	1003	962	28.14	2.35	0.75	0.86
14	A"	688	660	1.35	5.67	0.75	0.86
15	A"	180	173	0.07	1.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.211
C2	0.000	0.645
N3	-0.047	-0.776
O4	-1.168	-1.218
H5	2.084	0.582
H6	1.335	2.284
H7	-0.951	1.169

	C1	C2	N3	O4	H5	H6	H7
C1		1.3281	2.3464	3.3933	1.0830	1.0812	2.1534
C2	1.3281		1.4217	2.1991	2.0846	2.1136	1.0861
N3	2.3464	1.4217		1.2051	2.5266	3.3572	2.1448
O4	3.3933	2.1991	1.2051		3.7168	4.3045	2.3970
H5	1.0830	2.0846	2.5266	3.7168		1.8588	3.0912
H6	1.0812	2.1136	3.3572	4.3045	1.8588		2.5437
H7	2.1534	1.0861	2.1448	2.3970	3.0912	2.5437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.102	C1	C2	H7	125.949
C2	C1	H5	119.321	C2	C1	H6	122.294
C2	N3	O4	113.430	N3	C2	H7	116.949
H5	C1	H6	118.385

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/6-311G*

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	-0.406
2	C	-0.103
3	N	0.012
4	O	-0.210
5	H	0.246
6	H	0.243
7	H	0.218

	x	y	z	Total
	1.373	2.828	0.000	3.144
CHELPG
AIM
ESP

	x	y	z
x	6.529	2.057	0.000
y	2.057	5.942	0.000
z	0.000	0.000	2.323

<r²>	75.296
(<r²>)^1/2	8.677

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)