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	hartrees
Energy at 0K	-207.671639
Energy at 298.15K
HF Energy	-207.471383
Nuclear repulsion energy	104.168219

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'	3310	3142	1.28	59.07	0.69	0.82
2	A'	3221	3058	4.51	144.06	0.16	0.28
3	A'	3206	3043	2.66	16.05	0.47	0.64
4	A'	1696	1610	2.48	27.43	0.17	0.29
5	A'	1537	1459	78.20	40.41	0.30	0.46
6	A'	1446	1373	20.25	23.91	0.38	0.55
7	A'	1307	1241	0.94	7.84	0.50	0.66
8	A'	1169	1110	67.88	24.93	0.50	0.66
9	A'	913	866	27.95	0.09	0.71	0.83
10	A'	615	583	1.76	6.98	0.27	0.43
11	A'	348	331	1.40	0.49	0.69	0.81
12	A"	1018	966	38.98	0.08	0.75	0.86
13	A"	996	945	14.12	1.29	0.75	0.86
14	A"	688	653	0.46	8.21	0.75	0.86
15	A"	179	170	0.06	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.207	1.225
C2	0.000	0.646
N3	-0.035	-0.781
O4	-1.183	-1.230
H5	2.098	0.608
H6	1.328	2.302
H7	-0.955	1.167

	C1	C2	N3	O4	H5	H6	H7
C1		1.3386	2.3591	3.4268	1.0844	1.0831	2.1623
C2	1.3386		1.4272	2.2185	2.0987	2.1220	1.0875
N3	2.3591	1.4272		1.2334	2.5453	3.3699	2.1538
O4	3.4268	2.2185	1.2334		3.7614	4.3335	2.4082
H5	1.0844	2.0987	2.5453	3.7614		1.8609	3.1038
H6	1.0831	2.1220	3.3699	4.3335	1.8609		2.5487
H7	2.1623	1.0875	2.1538	2.4082	3.1038	2.5487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.031	C1	C2	H7	125.755
C2	C1	H5	119.664	C2	C1	H6	122.028
C2	N3	O4	112.784	N3	C2	H7	117.214
H5	C1	H6	118.308

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-0.319
2	C	0.036
3	N	0.003
4	O	-0.274
5	H	0.194
6	H	0.185
7	H	0.175

	x	y	z	Total
	1.341	2.851	0.000	3.150
CHELPG
AIM
ESP

<r²>	76.249
(<r²>)^1/2	8.732

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)