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	hartrees
Energy at 0K	-207.661783
Energy at 298.15K
HF Energy	-207.661783
Nuclear repulsion energy	103.597313

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'	3203	3167	0.49	68.26	0.68	0.81
2	A'	3104	3068	2.72	166.65	0.13	0.22
3	A'	3081	3046	9.44	51.16	0.50	0.67
4	A'	1624	1606	1.50	32.68	0.07	0.12
5	A'	1506	1489	130.70	56.07	0.51	0.68
6	A'	1366	1350	27.02	20.51	0.46	0.63
7	A'	1240	1226	1.98	9.51	0.27	0.42
8	A'	1108	1095	75.83	20.94	0.39	0.56
9	A'	862	852	32.58	0.48	0.71	0.83
10	A'	595	589	1.30	11.27	0.14	0.25
11	A'	335	331	0.86	1.23	0.73	0.85
12	A"	963	952	46.08	0.43	0.75	0.86
13	A"	961	950	16.54	3.18	0.75	0.86
14	A"	648	641	0.66	1.50	0.75	0.86
15	A"	175	173	0.20	0.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.224	1.222
C2	0.000	0.653
N3	-0.044	-0.777
O4	-1.193	-1.236
H5	2.113	0.584
H6	1.358	2.307
H7	-0.958	1.191

	C1	C2	N3	O4	H5	H6	H7
C1		1.3500	2.3680	3.4475	1.0948	1.0926	2.1827
C2	1.3500		1.4308	2.2341	2.1145	2.1398	1.0991
N3	2.3680	1.4308		1.2369	2.5512	3.3878	2.1700
O4	3.4475	2.2341	1.2369		3.7742	4.3655	2.4381
H5	1.0948	2.1145	2.5512	3.7742		1.8813	3.1312
H6	1.0926	2.1398	3.3878	4.3655	1.8813		2.5710
H7	2.1827	1.0991	2.1700	2.4381	3.1312	2.5710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.729	C1	C2	H7	125.747
C2	C1	H5	119.376	C2	C1	H6	121.982
C2	N3	O4	113.548	N3	C2	H7	117.525
H5	C1	H6	118.643

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

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

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	-0.189
2	C	-0.171
3	N	-0.126
4	O	-0.056
5	H	0.191
6	H	0.176
7	H	0.175

	x	y	z	Total
	1.531	3.159	0.000	3.511
CHELPG
AIM
ESP

	x	y	z
x	7.589	2.244	0.000
y	2.244	7.207	0.000
z	0.000	0.000	3.343

<r²>	77.432
(<r²>)^1/2	8.800

All results from a given calculation for C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)