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	hartrees
Energy at 0K	-205.091966
Energy at 298.15K
HF Energy	-205.091966
Nuclear repulsion energy	98.584343

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'	3425	3169	0.38	45.98	0.73	0.84
2	A'	3300	3053	1.16	77.65	0.15	0.27
3	A'	3268	3023	14.70	24.43	0.34	0.50
4	A'	1697	1571	5.90	12.15	0.16	0.27
5	A'	1471	1361	2.25	19.28	0.45	0.62
6	A'	1438	1330	15.44	21.62	0.21	0.35
7	A'	1294	1198	0.50	7.19	0.73	0.85
8	A'	1071	991	25.05	12.70	0.70	0.83
9	A'	804	744	52.91	0.94	0.69	0.81
10	A'	501	463	2.58	6.42	0.31	0.48
11	A'	289	267	0.02	0.46	0.68	0.81
12	A"	1025	948	14.99	0.06	0.75	0.86
13	A"	953	882	13.24	0.06	0.75	0.86
14	A"	529	490	1.03	3.69	0.75	0.86
15	A"	133	123	0.74	0.97	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.182	1.362
C2	0.000	0.700
N3	0.025	-0.879
O4	-1.207	-1.337
H5	2.139	0.808
H6	1.245	2.468
H7	-0.995	1.199

	C1	C2	N3	O4	H5	H6	H7
C1		1.3547	2.5221	3.6044	1.1069	1.1069	2.1830
C2	1.3547		1.5791	2.3674	2.1422	2.1621	1.1132
N3	2.5221	1.5791		1.3149	2.7044	3.5619	2.3149
O4	3.6044	2.3674	1.3149		3.9747	4.5261	2.5441
H5	1.1069	2.1422	2.7044	3.9747		1.8856	3.1590
H6	1.1069	2.1621	3.5619	4.5261	1.8856		2.5746
H7	2.1830	1.1132	2.3149	2.5441	3.1590	2.5746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.357	C1	C2	H7	124.099
C2	C1	H5	120.637	C2	C1	H6	122.560
C2	N3	O4	109.440	N3	C2	H7	117.544
H5	C1	H6	116.802

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/STO-3G

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	-0.136
2	C	-0.039
3	N	-0.036
4	O	-0.058
5	H	0.096
6	H	0.090
7	H	0.085

	x	y	z	Total
	0.264	1.723	0.000	1.743
CHELPG
AIM
ESP

	x	y	z
x	3.915	1.804	0.000
y	1.804	4.136	0.000
z	0.000	0.000	0.791

<r²>	82.171
(<r²>)^1/2	9.065

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)