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	hartrees
Energy at 0K	-207.674413
Energy at 298.15K
HF Energy	-207.674413
Nuclear repulsion energy	104.774750

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'	3295	3146	0.19	62.87	0.68	0.81
2	A'	3199	3055	4.57	169.74	0.16	0.28
3	A'	3183	3039	2.65	18.16	0.60	0.75
4	A'	1706	1629	8.17	26.54	0.03	0.06
5	A'	1642	1568	150.17	103.27	0.37	0.54
6	A'	1417	1352	26.60	22.22	0.44	0.61
7	A'	1287	1229	2.12	8.62	0.29	0.45
8	A'	1167	1114	78.11	26.89	0.43	0.60
9	A'	908	867	27.50	0.16	0.64	0.78
10	A'	622	594	2.31	8.92	0.14	0.25
11	A'	350	335	1.06	0.87	0.70	0.83
12	A"	1013	967	29.82	4.15	0.75	0.86
13	A"	1003	957	39.69	0.31	0.75	0.86
14	A"	685	654	1.20	1.89	0.75	0.86
15	A"	181	173	0.14	0.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.208
C2	0.000	0.647
N3	-0.050	-0.772
O4	-1.178	-1.221
H5	2.096	0.575
H6	1.347	2.284
H7	-0.950	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3367	2.3486	3.4090	1.0864	1.0845	2.1631
C2	1.3367		1.4199	2.2088	2.0971	2.1201	1.0896
N3	2.3486	1.4199		1.2147	2.5331	3.3603	2.1506
O4	3.4090	2.2088	1.2147		3.7343	4.3204	2.4134
H5	1.0864	2.0971	2.5331	3.7343		1.8665	3.1053
H6	1.0845	2.1201	3.3603	4.3204	1.8665		2.5478
H7	2.1631	1.0896	2.1506	2.4134	3.1053	2.5478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.823	C1	C2	H7	125.824
C2	C1	H5	119.515	C2	C1	H6	121.897
C2	N3	O4	113.715	N3	C2	H7	117.353
H5	C1	H6	118.588

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/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	-0.172
2	C	-0.205
3	N	-0.100
4	O	-0.083
5	H	0.194
6	H	0.180
7	H	0.184

	x	y	z	Total
	1.510	3.099	0.000	3.447
CHELPG
AIM
ESP

	x	y	z
x	7.246	2.227	0.000
y	2.227	6.664	0.000
z	0.000	0.000	3.221

<r²>	76.011
(<r²>)^1/2	8.718

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)