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	hartrees
Energy at 0K	-207.648218
Energy at 298.15K
HF Energy	-207.648218
Nuclear repulsion energy	103.603969

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'	3206	3162	1.06	64.06	0.69	0.81
2	A'	3107	3064	2.52	147.57	0.12	0.22
3	A'	3081	3039	10.03	41.90	0.51	0.67
4	A'	1636	1614	1.03	16.49	0.13	0.23
5	A'	1521	1500	98.51	36.64	0.30	0.46
6	A'	1368	1349	21.99	18.15	0.40	0.57
7	A'	1239	1222	1.52	7.34	0.55	0.71
8	A'	1104	1089	65.61	17.81	0.51	0.68
9	A'	858	846	30.58	0.41	0.35	0.51
10	A'	591	583	1.02	8.49	0.27	0.42
11	A'	327	323	1.25	0.82	0.68	0.81
12	A"	978	965	28.52	0.18	0.75	0.86
13	A"	955	942	19.37	0.65	0.75	0.86
14	A"	649	640	0.29	7.61	0.75	0.86
15	A"	175	172	0.15	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.219	1.226
C2	0.000	0.651
N3	-0.040	-0.783
O4	-1.192	-1.233
H5	2.107	0.587
H6	1.354	2.310
H7	-0.959	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3473	2.3706	3.4438	1.0943	1.0923	2.1783
C2	1.3473		1.4352	2.2301	2.1085	2.1407	1.0988
N3	2.3706	1.4352		1.2372	2.5472	3.3923	2.1746
O4	3.4438	2.2301	1.2372		3.7685	4.3629	2.4319
H5	1.0943	2.1085	2.5472	3.7685		1.8801	3.1249
H6	1.0923	2.1407	3.3923	4.3629	1.8801		2.5709
H7	2.1783	1.0988	2.1746	2.4319	3.1249	2.5709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.818	C1	C2	H7	125.572
C2	C1	H5	119.068	C2	C1	H6	122.336
C2	N3	O4	112.918	N3	C2	H7	117.610
H5	C1	H6	118.596

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: PBEPBEultrafine/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	-0.228
2	C	0.081
3	N	-0.014
4	O	-0.261
5	H	0.153
6	H	0.146
7	H	0.123

	x	y	z	Total
	1.356	2.839	0.000	3.146
CHELPG
AIM
ESP

	x	y	z
x	6.438	2.132	0.000
y	2.132	6.184	0.000
z	0.000	0.000	2.035

<r²>	76.787
(<r²>)^1/2	8.763

All results from a given calculation for C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)