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	hartrees
Energy at 0K	-207.811172
Energy at 298.15K
HF Energy	-207.811172
Nuclear repulsion energy	104.795124

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'	3271	3144	0.54	56.71	0.69	0.81
2	A'	3178	3055	4.21	149.87	0.15	0.26
3	A'	3160	3038	3.94	16.50	0.69	0.82
4	A'	1694	1629	5.05	13.09	0.11	0.20
5	A'	1624	1562	114.26	66.56	0.28	0.43
6	A'	1407	1353	21.72	18.56	0.40	0.57
7	A'	1275	1226	1.74	6.73	0.51	0.67
8	A'	1147	1103	67.97	20.82	0.50	0.66
9	A'	890	856	27.84	0.15	0.11	0.20
10	A'	614	590	1.43	7.15	0.23	0.37
11	A'	338	325	1.22	0.76	0.64	0.78
12	A"	1015	976	23.15	0.25	0.75	0.86
13	A"	1005	966	22.13	1.19	0.75	0.86
14	A"	684	657	0.33	5.29	0.75	0.86
15	A"	181	174	0.08	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.217
C2	0.000	0.647
N3	-0.045	-0.779
O4	-1.173	-1.224
H5	2.091	0.590
H6	1.335	2.293
H7	-0.953	1.173

	C1	C2	N3	O4	H5	H6	H7
C1		1.3327	2.3547	3.4072	1.0859	1.0842	2.1582
C2	1.3327		1.4259	2.2075	2.0917	2.1202	1.0890
N3	2.3547	1.4259		1.2124	2.5371	3.3680	2.1524
O4	3.4072	2.2075	1.2124		3.7341	4.3198	2.4063
H5	1.0859	2.0917	2.5371	3.7341		1.8632	3.0996
H6	1.0842	2.1202	3.3680	4.3198	1.8632		2.5484
H7	2.1582	1.0890	2.1524	2.4063	3.0996	2.5484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.168	C1	C2	H7	125.755
C2	C1	H5	119.386	C2	C1	H6	122.294
C2	N3	O4	113.346	N3	C2	H7	117.077
H5	C1	H6	118.320

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.334
2	C	0.067
3	N	0.030
4	O	-0.254
5	H	0.175
6	H	0.173
7	H	0.144

	x	y	z	Total
	1.301	2.776	0.000	3.066
CHELPG
AIM
ESP

	x	y	z
x	6.383	2.036	0.000
y	2.036	6.112	0.000
z	0.000	0.000	2.498

<r²>	75.471
(<r²>)^1/2	8.687

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)