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	hartrees
Energy at 0K	-207.943292
Energy at 298.15K
HF Energy	-207.943292
Nuclear repulsion energy	104.462041

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'	3248	3248	2.00	65.91	0.69	0.82
2	A'	3157	3157	5.41	175.56	0.17	0.29
3	A'	3139	3139	7.84	23.69	0.75	0.86
4	A'	1670	1670	1.88	24.10	0.11	0.20
5	A'	1566	1566	117.71	49.95	0.37	0.54
6	A'	1418	1418	22.95	20.84	0.43	0.61
7	A'	1280	1280	1.82	7.81	0.44	0.61
8	A'	1136	1136	71.93	24.30	0.42	0.59
9	A'	883	883	32.85	0.22	0.56	0.72
10	A'	604	604	1.19	8.07	0.25	0.40
11	A'	334	334	1.70	1.01	0.74	0.85
12	A"	1013	1013	51.27	0.18	0.75	0.86
13	A"	1005	1005	4.22	2.70	0.75	0.86
14	A"	678	678	0.82	5.15	0.75	0.86
15	A"	181	181	0.07	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.212	1.215
C2	0.000	0.652
N3	-0.046	-0.778
O4	-1.181	-1.225
H5	2.091	0.578
H6	1.352	2.289
H7	-0.951	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3366	2.3561	3.4175	1.0851	1.0833	2.1634
C2	1.3366		1.4299	2.2173	2.0923	2.1233	1.0882
N3	2.3561	1.4299		1.2202	2.5304	3.3699	2.1575
O4	3.4175	2.2173	1.2202		3.7358	4.3316	2.4169
H5	1.0851	2.0923	2.5304	3.7358		1.8636	3.1010
H6	1.0833	2.1233	3.3699	4.3316	1.8636		2.5555
H7	2.1634	1.0882	2.1575	2.4169	3.1010	2.5555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.739	C1	C2	H7	125.989
C2	C1	H5	119.170	C2	C1	H6	122.318
C2	N3	O4	113.345	N3	C2	H7	117.271
H5	C1	H6	118.512

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/6-311G**

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	-0.161
2	C	-0.014
3	N	-0.002
4	O	-0.216
5	H	0.142
6	H	0.140
7	H	0.111

	x	y	z	Total
	1.405	2.886	0.000	3.210
CHELPG
AIM
ESP

	x	y	z
x	6.711	2.123	0.000
y	2.123	6.191	0.000
z	0.000	0.000	2.399

<r²>	76.090
(<r²>)^1/2	8.723

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)