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	hartrees
Energy at 0K	-207.839805
Energy at 298.15K
HF Energy	-207.839805
Nuclear repulsion energy	105.090119

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'	3288	3288	0.89	55.79	0.67	0.80
2	A'	3206	3206	4.43	123.83	0.24	0.39
3	A'	3185	3185	0.95	33.53	0.16	0.28
4	A'	1740	1740	42.76	3.27	0.15	0.27
5	A'	1704	1704	88.08	99.22	0.28	0.43
6	A'	1430	1430	20.08	18.92	0.45	0.62
7	A'	1296	1296	1.50	7.16	0.46	0.63
8	A'	1165	1165	62.26	27.00	0.46	0.63
9	A'	908	908	29.50	0.61	0.74	0.85
10	A'	629	629	1.92	6.02	0.25	0.40
11	A'	358	358	1.61	0.57	0.75	0.86
12	A"	1020	1020	57.47	1.47	0.75	0.86
13	A"	1016	1016	11.26	1.62	0.75	0.86
14	A"	693	693	2.26	5.75	0.75	0.86
15	A"	175	175	0.05	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.203	1.213
C2	0.000	0.651
N3	-0.049	-0.783
O4	-1.168	-1.217
H5	2.084	0.580
H6	1.338	2.287
H7	-0.954	1.171

	C1	C2	N3	O4	H5	H6	H7
C1		1.3273	2.3556	3.3945	1.0845	1.0825	2.1570
C2	1.3273		1.4350	2.2031	2.0847	2.1130	1.0866
N3	2.3556	1.4350		1.2004	2.5307	3.3683	2.1539
O4	3.3945	2.2031	1.2004		3.7150	4.3074	2.3979
H5	1.0845	2.0847	2.5307	3.7150		1.8625	3.0945
H6	1.0825	2.1130	3.3683	4.3074	1.8625		2.5487
H7	2.1570	1.0866	2.1539	2.3979	3.0945	2.5487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.974	C1	C2	H7	126.365
C2	C1	H5	119.288	C2	C1	H6	122.198
C2	N3	O4	113.136	N3	C2	H7	116.661
H5	C1	H6	118.514

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/6-311G*

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	-0.428
2	C	-0.120
3	N	0.015
4	O	-0.210
5	H	0.254
6	H	0.251
7	H	0.238

	x	y	z	Total
	1.304	2.747	0.000	3.041
CHELPG
AIM
ESP

	x	y	z
x	6.464	2.022	0.000
y	2.022	5.759	0.000
z	0.000	0.000	2.322

<r²>	75.594
(<r²>)^1/2	8.694

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)