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	hartrees
Energy at 0K	-207.825848
Energy at 298.15K
HF Energy	-207.825848
Nuclear repulsion energy	104.784569

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'	3292	3292	0.03	59.94	0.66	0.80
2	A'	3202	3202	2.86	152.06	0.16	0.27
3	A'	3181	3181	0.13	36.07	0.13	0.22
4	A'	1732	1732	38.18	10.33	0.02	0.03
5	A'	1692	1692	108.23	132.65	0.28	0.44
6	A'	1407	1407	23.32	21.30	0.37	0.54
7	A'	1278	1278	3.26	5.98	0.27	0.42
8	A'	1158	1158	68.70	27.25	0.46	0.63
9	A'	901	901	25.06	0.58	0.67	0.80
10	A'	623	623	1.80	7.84	0.11	0.20
11	A'	356	356	1.17	0.53	0.64	0.78
12	A"	1030	1030	30.68	3.17	0.75	0.86
13	A"	996	996	30.06	0.43	0.75	0.86
14	A"	686	686	1.75	0.90	0.75	0.86
15	A"	176	176	0.06	0.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.208
C2	0.000	0.653
N3	-0.052	-0.781
O4	-1.175	-1.217
H5	2.093	0.565
H6	1.350	2.287
H7	-0.955	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3336	2.3568	3.4030	1.0897	1.0879	2.1681
C2	1.3336		1.4352	2.2085	2.0949	2.1191	1.0921
N3	2.3568	1.4352		1.2050	2.5323	3.3729	2.1618
O4	3.4030	2.2085	1.2050		3.7225	4.3186	2.4097
H5	1.0897	2.0949	2.5323	3.7225		1.8754	3.1101
H6	1.0879	2.1191	3.3729	4.3186	1.8754		2.5555
H7	2.1681	1.0921	2.1618	2.4097	3.1101	2.5555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.634	C1	C2	H7	126.418
C2	C1	H5	119.303	C2	C1	H6	121.788
C2	N3	O4	113.256	N3	C2	H7	116.948
H5	C1	H6	118.908

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.630
2	C	1.098
3	N	-0.036
4	O	-0.481
5	H	-0.392
6	H	-0.392
7	H	-0.427

	x	y	z	Total
	1.346	2.830	0.000	3.134
CHELPG
AIM
ESP

	x	y	z
x	7.239	2.009	0.000
y	2.009	6.791	0.000
z	0.000	0.000	3.768

<r²>	76.016
(<r²>)^1/2	8.719

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)