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	hartrees
Energy at 0K	-207.959687
Energy at 298.15K
HF Energy	-207.959687
Nuclear repulsion energy	104.860978

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'	3244	3244	0.37	58.98	0.68	0.81
2	A'	3155	3155	3.75	165.51	0.12	0.21
3	A'	3138	3138	4.14	22.50	0.74	0.85
4	A'	1676	1676	2.71	36.81	0.07	0.14
5	A'	1581	1581	139.70	79.36	0.41	0.59
6	A'	1420	1420	24.47	23.11	0.39	0.56
7	A'	1289	1289	1.27	10.17	0.24	0.39
8	A'	1145	1145	78.45	27.83	0.40	0.57
9	A'	893	893	35.24	0.60	0.74	0.85
10	A'	616	616	1.21	9.69	0.11	0.20
11	A'	355	355	1.04	0.86	0.67	0.80
12	A"	1017	1017	13.75	4.40	0.75	0.86
13	A"	1003	1003	41.46	0.20	0.75	0.86
14	A"	684	684	0.99	0.64	0.75	0.86
15	A"	182	182	0.08	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.219
C2	0.000	0.648
N3	-0.046	-0.774
O4	-1.169	-1.232
H5	2.091	0.602
H6	1.324	2.293
H7	-0.950	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3307	2.3521	3.4100	1.0820	1.0803	2.1522
C2	1.3307		1.4232	2.2137	2.0913	2.1110	1.0855
N3	2.3521	1.4232		1.2122	2.5420	3.3590	2.1474
O4	3.4100	2.2137	1.2122		3.7401	4.3167	2.4155
H5	1.0820	2.0913	2.5420	3.7401		1.8565	3.0938
H6	1.0803	2.1110	3.3590	4.3167	1.8565		2.5337
H7	2.1522	1.0855	2.1474	2.4155	3.0938	2.5337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.276	C1	C2	H7	125.624
C2	C1	H5	119.816	C2	C1	H6	121.871
C2	N3	O4	114.034	N3	C2	H7	117.100
H5	C1	H6	118.313

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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	-0.336
2	C	0.373
3	N	-0.240
4	O	-0.320
5	H	0.177
6	H	0.178
7	H	0.168

	x	y	z	Total
	1.467	3.019	0.000	3.356
CHELPG
AIM
ESP

	x	y	z
x	7.366	2.110	0.000
y	2.110	7.097	0.000
z	0.000	0.000	3.804

<r²>	76.108
(<r²>)^1/2	8.724

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)