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	hartrees
Energy at 0K	-207.692252
Energy at 298.15K
HF Energy	-207.692252
Nuclear repulsion energy	102.488331

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'	3234	3234	4.85	66.99	0.68	0.81
2	A'	3136	3136	7.26	168.64	0.14	0.24
3	A'	3116	3116	10.65	27.06	0.72	0.84
4	A'	1639	1639	4.05	24.82	0.15	0.27
5	A'	1427	1427	13.56	16.31	0.37	0.54
6	A'	1360	1360	72.72	27.57	0.33	0.50
7	A'	1283	1283	3.42	12.54	0.44	0.61
8	A'	1110	1110	59.94	20.81	0.51	0.68
9	A'	861	861	41.63	0.13	0.70	0.82
10	A'	594	594	1.50	10.56	0.30	0.46
11	A'	336	336	1.44	0.69	0.67	0.80
12	A"	1001	1001	60.83	0.54	0.75	0.86
13	A"	998	998	4.49	1.37	0.75	0.86
14	A"	656	656	0.42	8.60	0.75	0.86
15	A"	191	191	0.24	1.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.215	1.250
C2	0.000	0.660
N3	-0.025	-0.784
O4	-1.201	-1.266
H5	2.114	0.633
H6	1.334	2.332
H7	-0.957	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3506	2.3821	3.4876	1.0900	1.0883	2.1734
C2	1.3506		1.4444	2.2695	2.1139	2.1386	1.0928
N3	2.3821	1.4444		1.2703	2.5656	3.3992	2.1804
O4	3.4876	2.2695	1.2703		3.8196	4.4007	2.4648
H5	1.0900	2.1139	2.5656	3.8196		1.8689	3.1208
H6	1.0883	2.1386	3.3992	4.4007	1.8689		2.5617
H7	2.1734	1.0928	2.1804	2.4648	3.1208	2.5617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.881	C1	C2	H7	125.295
C2	C1	H5	119.646	C2	C1	H6	122.178
C2	N3	O4	113.281	N3	C2	H7	117.824
H5	C1	H6	118.176

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G

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	-0.256
2	C	0.038
3	N	-0.026
4	O	-0.284
5	H	0.184
6	H	0.172
7	H	0.172

	x	y	z	Total
	1.587	3.374	0.000	3.729
CHELPG
AIM
ESP

	x	y	z
x	6.444	2.347	0.000
y	2.347	6.173	0.000
z	0.000	0.000	1.756

<r²>	78.334
(<r²>)^1/2	8.851

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)