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	hartrees
Energy at 0K	-37.888335
Energy at 298.15K
HF Energy	-37.888335
Nuclear repulsion energy	55.910551

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'	3421	3122	5.86	61.20	0.67	0.81
2	A'	3354	3060	7.45	97.98	0.27	0.43
3	A'	3303	3014	1.25	57.53	0.15	0.25
4	A'	1792	1636	6.21	137.73	0.19	0.32
5	A'	1745	1593	177.65	127.63	0.35	0.52
6	A'	1542	1407	15.03	35.99	0.37	0.54
7	A'	1400	1277	8.11	25.02	0.36	0.53
8	A'	1271	1160	52.64	41.58	0.53	0.69
9	A'	987	900	20.31	1.49	0.75	0.86
10	A'	645	588	8.08	9.17	0.28	0.44
11	A'	374	341	2.09	0.35	0.73	0.84
12	A"	1157	1056	44.11	9.73	0.75	0.86
13	A"	1088	993	51.94	4.62	0.75	0.86
14	A"	752	686	3.55	9.35	0.75	0.86
15	A"	189	173	0.00	0.57	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.202	1.243
C2	0.000	0.657
N3	-0.041	-0.780
O4	-1.172	-1.259
H5	2.098	0.649
H6	1.302	2.313
H7	-0.946	1.168

	C1	C2	N3	O4	H5	H6	H7
C1		1.3370	2.3748	3.4487	1.0755	1.0744	2.1490
C2	1.3370		1.4378	2.2458	2.0983	2.1065	1.0754
N3	2.3748	1.4378		1.2275	2.5733	3.3723	2.1483
O4	3.4487	2.2458	1.2275		3.7860	4.3448	2.4377
H5	1.0755	2.0983	2.5733	3.7860		1.8444	3.0883
H6	1.0744	2.1065	3.3723	4.3448	1.8444		2.5226
H7	2.1490	1.0754	2.1483	2.4377	3.0883	2.5226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.655	C1	C2	H7	125.603
C2	C1	H5	120.475	C2	C1	H6	121.366
C2	N3	O4	114.602	N3	C2	H7	116.742
H5	C1	H6	118.159

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/CEP-121G

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	-0.262
2	C	-0.129
3	N	0.131
4	O	-0.273
5	H	0.172
6	H	0.171
7	H	0.190

	x	y	z	Total
	1.789	3.518	0.000	3.946
CHELPG
AIM
ESP

	x	y	z
x	7.118	2.640	0.000
y	2.640	5.691	0.000
z	0.000	0.000	2.450

<r²>	63.563
(<r²>)^1/2	7.973

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)