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	hartrees
Energy at 0K	-207.721518
Energy at 298.15K
HF Energy	-207.721518
Nuclear repulsion energy	103.823747

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'	3319	3165	1.43	60.76	0.67	0.80
2	A'	3227	3078	5.94	144.30	0.18	0.31
3	A'	3208	3059	1.04	24.98	0.21	0.35
4	A'	1718	1638	4.71	37.66	0.17	0.30
5	A'	1508	1438	92.50	47.88	0.32	0.49
6	A'	1460	1393	23.54	21.75	0.40	0.57
7	A'	1315	1254	1.66	10.67	0.47	0.64
8	A'	1168	1114	57.92	22.90	0.52	0.68
9	A'	914	872	29.46	0.21	0.74	0.85
10	A'	616	588	3.73	8.42	0.31	0.47
11	A'	341	325	1.53	0.49	0.69	0.81
12	A"	1054	1005	24.48	2.58	0.75	0.86
13	A"	1036	988	50.44	0.39	0.75	0.86
14	A"	698	665	0.71	9.54	0.75	0.86
15	A"	194	185	0.20	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.234
C2	0.000	0.652
N3	-0.031	-0.775
O4	-1.183	-1.250
H5	2.095	0.621
H6	1.322	2.309
H7	-0.953	1.171

	C1	C2	N3	O4	H5	H6	H7
C1		1.3356	2.3572	3.4434	1.0834	1.0815	2.1561
C2	1.3356		1.4275	2.2398	2.0954	2.1191	1.0851
N3	2.3572	1.4275		1.2456	2.5432	3.3674	2.1535
O4	3.4434	2.2398	1.2456		3.7738	4.3515	2.4321
H5	1.0834	2.0954	2.5432	3.7738		1.8572	3.0975
H6	1.0815	2.1191	3.3674	4.3515	1.8572		2.5431
H7	2.1561	1.0851	2.1535	2.4321	3.0975	2.5431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.065	C1	C2	H7	125.608
C2	C1	H5	119.690	C2	C1	H6	122.152
C2	N3	O4	113.664	N3	C2	H7	117.328
H5	C1	H6	118.158

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B1B95/6-31G

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	-0.285
2	C	0.008
3	N	-0.010
4	O	-0.295
5	H	0.199
6	H	0.186
7	H	0.197

	x	y	z	Total
	1.564	3.341	0.000	3.689
CHELPG
AIM
ESP

	x	y	z
x	6.287	2.276	0.000
y	2.276	5.766	0.000
z	0.000	0.000	1.732

<r²>	76.836
(<r²>)^1/2	8.766

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)