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	hartrees
Energy at 0K	-207.897030
Energy at 298.15K
HF Energy	-207.897030
Nuclear repulsion energy	104.303030

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'	3269	3152	0.56	64.91	0.69	0.81
2	A'	3177	3063	4.60	170.96	0.16	0.27
3	A'	3161	3048	3.83	20.50	0.73	0.85
4	A'	1681	1621	1.67	40.55	0.08	0.14
5	A'	1585	1528	148.72	82.73	0.42	0.59
6	A'	1419	1368	24.61	25.21	0.42	0.59
7	A'	1288	1241	1.17	10.40	0.27	0.42
8	A'	1153	1112	78.98	28.33	0.44	0.61
9	A'	900	867	32.33	0.31	0.75	0.86
10	A'	615	593	2.00	9.55	0.14	0.25
11	A'	353	340	1.09	0.95	0.71	0.83
12	A"	1007	971	31.46	4.32	0.75	0.86
13	A"	997	961	32.42	0.43	0.75	0.86
14	A"	679	655	0.96	1.66	0.75	0.86
15	A"	184	177	0.11	0.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.212	1.221
C2	0.000	0.649
N3	-0.045	-0.776
O4	-1.180	-1.233
H5	2.102	0.598
H6	1.335	2.298
H7	-0.952	1.178

	C1	C2	N3	O4	H5	H6	H7
C1		1.3401	2.3592	3.4270	1.0862	1.0847	2.1648
C2	1.3401		1.4255	2.2214	2.1028	2.1220	1.0895
N3	2.3592	1.4255		1.2242	2.5491	3.3697	2.1545
O4	3.4270	2.2214	1.2242		3.7589	4.3356	2.4218
H5	1.0862	2.1028	2.5491	3.7589		1.8652	3.1092
H6	1.0847	2.1220	3.3697	4.3356	1.8652		2.5470
H7	2.1648	1.0895	2.1545	2.4218	3.1092	2.5470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.057	C1	C2	H7	125.685
C2	C1	H5	119.785	C2	C1	H6	121.768
C2	N3	O4	113.725	N3	C2	H7	117.258
H5	C1	H6	118.447

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/6-31+G**

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	-0.146
2	C	-0.144
3	N	-0.126
4	O	-0.079
5	H	0.175
6	H	0.160
7	H	0.160

	x	y	z	Total
	1.549	3.167	0.000	3.526
CHELPG
AIM
ESP

	x	y	z
x	7.347	2.286	0.000
y	2.286	6.845	0.000
z	0.000	0.000	3.294

<r²>	76.718
(<r²>)^1/2	8.759

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)