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	hartrees
Energy at 0K	-207.659845
Energy at 298.15K
HF Energy	-207.659845
Nuclear repulsion energy	103.623741

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'	3198	3180	0.59	69.98	0.70	0.82
2	A'	3089	3071	2.30	169.91	0.13	0.23
3	A'	3061	3043	11.53	51.59	0.50	0.67
4	A'	1631	1622	1.42	18.07	0.11	0.20
5	A'	1523	1514	102.17	37.53	0.38	0.55
6	A'	1337	1329	23.27	14.89	0.48	0.65
7	A'	1217	1210	4.06	7.12	0.61	0.76
8	A'	1088	1082	63.34	17.77	0.44	0.61
9	A'	848	843	28.89	0.60	0.42	0.59
10	A'	591	587	0.82	9.00	0.25	0.40
11	A'	325	323	1.64	1.04	0.75	0.86
12	A"	972	967	23.32	0.59	0.75	0.86
13	A"	954	948	15.32	1.28	0.75	0.86
14	A"	649	645	0.49	7.69	0.75	0.86
15	A"	177	176	0.07	1.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.221	1.225
C2	0.000	0.652
N3	-0.044	-0.784
O4	-1.190	-1.232
H5	2.109	0.574
H6	1.359	2.315
H7	-0.965	1.193

	C1	C2	N3	O4	H5	H6	H7
C1		1.3486	2.3739	3.4424	1.1013	1.0989	2.1858
C2	1.3486		1.4365	2.2285	2.1101	2.1481	1.1060
N3	2.3739	1.4365		1.2307	2.5449	3.4020	2.1806
O4	3.4424	2.2285	1.2307		3.7606	4.3684	2.4353
H5	1.1013	2.1101	2.5449	3.7606		1.8959	3.1351
H6	1.0989	2.1481	3.4020	4.3684	1.8959		2.5810
H7	2.1858	1.1060	2.1806	2.4353	3.1351	2.5810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.900	C1	C2	H7	125.581
C2	C1	H5	118.582	C2	C1	H6	122.397
C2	N3	O4	113.109	N3	C2	H7	117.520
H5	C1	H6	119.020

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBEPBE/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	0.037
2	C	0.028
3	N	-0.010
4	O	-0.165
5	H	0.050
6	H	0.059
7	H	0.001

	x	y	z	Total
	1.307	2.641	0.000	2.947
CHELPG
AIM
ESP

	x	y	z
x	6.704	2.048	0.000
y	2.048	6.278	0.000
z	0.000	0.000	2.178

<r²>	76.933
(<r²>)^1/2	8.771

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)