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	hartrees
Energy at 0K	-207.901827
Energy at 298.15K
HF Energy	-207.901827
Nuclear repulsion energy	104.165285

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'	3274	3151	1.19	67.94	0.68	0.81
2	A'	3181	3062	5.63	178.90	0.16	0.27
3	A'	3164	3046	5.52	22.42	0.71	0.83
4	A'	1673	1610	1.35	39.13	0.08	0.14
5	A'	1559	1501	137.35	68.45	0.43	0.60
6	A'	1426	1373	24.24	27.46	0.40	0.58
7	A'	1289	1241	1.10	9.91	0.27	0.42
8	A'	1149	1106	79.31	26.78	0.44	0.61
9	A'	895	861	31.71	0.19	0.67	0.80
10	A'	604	581	1.76	9.50	0.15	0.26
11	A'	338	325	1.06	0.99	0.71	0.83
12	A"	1010	972	56.77	2.83	0.75	0.86
13	A"	1000	962	9.43	1.45	0.75	0.86
14	A"	674	649	0.86	1.76	0.75	0.86
15	A"	181	175	0.14	0.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.218	1.215
C2	0.000	0.651
N3	-0.045	-0.775
O4	-1.187	-1.228
H5	2.102	0.584
H6	1.352	2.291
H7	-0.950	1.184

	C1	C2	N3	O4	H5	H6	H7
C1		1.3425	2.3569	3.4289	1.0860	1.0844	2.1680
C2	1.3425		1.4263	2.2229	2.1030	2.1256	1.0891
N3	2.3569	1.4263		1.2291	2.5406	3.3692	2.1577
O4	3.4289	2.2229	1.2291		3.7554	4.3399	2.4242
H5	1.0860	2.1030	2.5406	3.7554		1.8649	3.1100
H6	1.0844	2.1256	3.3692	4.3399	1.8649		2.5538
H7	2.1680	1.0891	2.1577	2.4242	3.1100	2.5538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.658	C1	C2	H7	125.829
C2	C1	H5	119.609	C2	C1	H6	121.927
C2	N3	O4	113.460	N3	C2	H7	117.513
H5	C1	H6	118.465

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/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	-0.161
2	C	-0.207
3	N	-0.108
4	O	-0.067
5	H	0.189
6	H	0.175
7	H	0.179

	x	y	z	Total
	1.542	3.159	0.000	3.515
CHELPG
AIM
ESP

	x	y	z
x	7.347	2.283	0.000
y	2.283	6.860	0.000
z	0.000	0.000	3.226

<r²>	76.639
(<r²>)^1/2	8.754

All results from a given calculation for C2H3NO (Nitrosoethylene)

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

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)