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	hartrees
Energy at 0K	-207.656014
Energy at 298.15K
HF Energy	-207.656014
Nuclear repulsion energy	104.768354

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'	3296	3149	0.12	62.25	0.68	0.81
2	A'	3201	3058	4.41	168.12	0.17	0.28
3	A'	3184	3042	2.22	18.20	0.56	0.71
4	A'	1708	1632	9.18	25.37	0.03	0.06
5	A'	1647	1574	148.67	104.98	0.36	0.53
6	A'	1416	1353	26.63	22.02	0.44	0.61
7	A'	1287	1230	2.16	8.48	0.29	0.45
8	A'	1168	1115	77.59	26.80	0.43	0.60
9	A'	908	867	27.75	0.16	0.64	0.78
10	A'	622	594	2.25	8.77	0.14	0.25
11	A'	350	334	1.04	0.86	0.70	0.83
12	A"	1013	968	31.46	4.15	0.75	0.86
13	A"	1003	958	39.12	0.33	0.75	0.86
14	A"	684	654	1.27	1.92	0.75	0.86
15	A"	180	172	0.15	0.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.208
C2	0.000	0.647
N3	-0.050	-0.773
O4	-1.178	-1.221
H5	2.096	0.575
H6	1.346	2.285
H7	-0.950	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3366	2.3492	3.4089	1.0866	1.0847	2.1631
C2	1.3366		1.4208	2.2088	2.0974	2.1200	1.0897
N3	2.3492	1.4208		1.2143	2.5338	3.3611	2.1516
O4	3.4089	2.2088	1.2143		3.7345	4.3203	2.4136
H5	1.0866	2.0974	2.5338	3.7345		1.8670	3.1057
H6	1.0847	2.1200	3.3611	4.3203	1.8670		2.5475
H7	2.1631	1.0897	2.1516	2.4136	3.1057	2.5475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.821	C1	C2	H7	125.821
C2	C1	H5	119.530	C2	C1	H6	121.876
C2	N3	O4	113.678	N3	C2	H7	117.358
H5	C1	H6	118.594

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBE1PBE/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	-0.177
2	C	-0.214
3	N	-0.093
4	O	-0.084
5	H	0.197
6	H	0.183
7	H	0.188

	x	y	z	Total
	1.501	3.086	0.000	3.431
CHELPG
AIM
ESP

	x	y	z
x	7.232	2.221	0.000
y	2.221	6.644	0.000
z	0.000	0.000	3.216

<r²>	76.016
(<r²>)^1/2	8.719

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)