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	hartrees
Energy at 0K	-207.891092
Energy at 298.15K
HF Energy	-207.891092
Nuclear repulsion energy	104.171441

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'	3274	3139	2.23	66.16	0.69	0.82
2	A'	3181	3050	5.39	165.18	0.14	0.25
3	A'	3163	3032	7.07	20.57	0.75	0.85
4	A'	1684	1615	0.96	21.31	0.14	0.25
5	A'	1572	1507	107.69	47.39	0.30	0.46
6	A'	1428	1369	19.73	23.65	0.37	0.54
7	A'	1289	1236	0.92	7.69	0.51	0.67
8	A'	1147	1099	69.69	22.57	0.51	0.67
9	A'	892	855	28.84	0.12	0.26	0.41
10	A'	601	576	1.61	7.59	0.27	0.42
11	A'	332	318	1.37	0.73	0.67	0.80
12	A"	1016	974	43.33	0.04	0.75	0.86
13	A"	1000	959	9.32	1.33	0.75	0.86
14	A"	675	647	0.35	7.80	0.75	0.86
15	A"	181	174	0.09	1.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.219
C2	0.000	0.649
N3	-0.040	-0.780
O4	-1.186	-1.227
H5	2.098	0.590
H6	1.346	2.295
H7	-0.951	1.179

	C1	C2	N3	O4	H5	H6	H7
C1		1.3402	2.3593	3.4258	1.0857	1.0842	2.1645
C2	1.3402		1.4296	2.2193	2.0986	2.1263	1.0890
N3	2.3593	1.4296		1.2296	2.5391	3.3731	2.1607
O4	3.4258	2.2193	1.2296		3.7525	4.3375	2.4176
H5	1.0857	2.0986	2.5391	3.7525		1.8637	3.1054
H6	1.0842	2.1263	3.3731	4.3375	1.8637		2.5539
H7	2.1645	1.0890	2.1607	2.4176	3.1054	2.5539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.784	C1	C2	H7	125.696
C2	C1	H5	119.410	C2	C1	H6	122.219
C2	N3	O4	112.928	N3	C2	H7	117.521
H5	C1	H6	118.372

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/6-31G**

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	-0.248
2	C	0.072
3	N	-0.008
4	O	-0.280
5	H	0.165
6	H	0.156
7	H	0.143

	x	y	z	Total
	1.399	2.904	0.000	3.223
CHELPG
AIM
ESP

	x	y	z
x	6.389	2.151	0.000
y	2.151	6.016	0.000
z	0.000	0.000	2.019

<r²>	76.123
(<r²>)^1/2	8.725

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)