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	hartrees
Energy at 0K	-206.624857
Energy at 298.15K
HF Energy	-206.624857
Nuclear repulsion energy	103.277855

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'	3298	3149	0.58	55.57	0.65	0.79
2	A'	3221	3075	3.65	109.59	0.23	0.37
3	A'	3198	3053	0.15	38.64	0.12	0.21
4	A'	1706	1629	2.80	30.82	0.16	0.28
5	A'	1464	1398	14.80	17.69	0.41	0.58
6	A'	1372	1310	41.25	34.24	0.29	0.44
7	A'	1297	1238	1.23	7.59	0.53	0.69
8	A'	1128	1077	36.11	23.86	0.52	0.68
9	A'	863	824	44.20	1.81	0.61	0.76
10	A'	602	575	2.08	6.43	0.30	0.47
11	A'	328	313	1.06	0.32	0.68	0.81
12	A"	1043	996	12.40	2.73	0.75	0.86
13	A"	1036	989	69.54	0.03	0.75	0.86
14	A"	688	657	1.93	10.10	0.75	0.86
15	A"	190	182	0.20	1.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.176	1.263
C2	0.000	0.646
N3	0.003	-0.800
O4	-1.182	-1.251
H5	2.086	0.676
H6	1.261	2.341
H7	-0.968	1.132

	C1	C2	N3	O4	H5	H6	H7
C1		1.3281	2.3734	3.4468	1.0831	1.0810	2.1484
C2	1.3281		1.4462	2.2353	2.0862	2.1124	1.0832
N3	2.3734	1.4462		1.2674	2.5529	3.3834	2.1620
O4	3.4468	2.2353	1.2674		3.7934	4.3439	2.3925
H5	1.0831	2.0862	2.5529	3.7934		1.8582	3.0882
H6	1.0810	2.1124	3.3834	4.3439	1.8582		2.5363
H7	2.1484	1.0832	2.1620	2.3925	3.0882	2.5363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.568	C1	C2	H7	125.696
C2	C1	H5	119.474	C2	C1	H6	122.195
C2	N3	O4	110.750	N3	C2	H7	116.737
H5	C1	H6	118.331

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/3-21G*

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	-0.382
2	C	-0.051
3	N	-0.038
4	O	-0.270
5	H	0.252
6	H	0.239
7	H	0.249

	x	y	z	Total
	1.274	2.929	0.000	3.194
CHELPG
AIM
ESP

	x	y	z
x	5.821	2.134	0.000
y	2.134	5.357	0.000
z	0.000	0.000	1.437

<r²>	76.930
(<r²>)^1/2	8.771

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)