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	hartrees
Energy at 0K	-207.771016
Energy at 298.15K
HF Energy	-207.771016
Nuclear repulsion energy	102.973811

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'	3324	3324	4.88	56.61	0.67	0.80
2	A'	3224	3224	8.93	146.95	0.16	0.28
3	A'	3200	3200	2.91	22.68	0.22	0.36
4	A'	1703	1703	3.69	70.99	0.18	0.30
5	A'	1525	1525	109.21	72.77	0.29	0.45
6	A'	1452	1452	29.12	24.38	0.38	0.55
7	A'	1305	1305	1.29	11.60	0.53	0.69
8	A'	1171	1171	54.72	30.56	0.58	0.74
9	A'	914	914	36.24	0.70	0.75	0.86
10	A'	606	606	3.48	8.62	0.32	0.48
11	A'	343	343	1.14	0.51	0.70	0.82
12	A"	1069	1069	50.48	6.53	0.75	0.86
13	A"	1029	1029	48.18	1.45	0.75	0.86
14	A"	697	697	2.00	5.93	0.75	0.86
15	A"	182	182	0.20	1.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.248
C2	0.000	0.659
N3	-0.029	-0.786
O4	-1.191	-1.262
H5	2.110	0.640
H6	1.316	2.327
H7	-0.952	1.188

	C1	C2	N3	O4	H5	H6	H7
C1		1.3450	2.3810	3.4724	1.0862	1.0841	2.1622
C2	1.3450		1.4451	2.2601	2.1100	2.1244	1.0889
N3	2.3810	1.4451		1.2550	2.5711	3.3907	2.1783
O4	3.4724	2.2601	1.2550		3.8095	4.3774	2.4611
H5	1.0862	2.1100	2.5711	3.8095		1.8636	3.1105
H6	1.0841	2.1244	3.3907	4.3774	1.8636		2.5382
H7	2.1622	1.0889	2.1783	2.4611	3.1105	2.5382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.117	C1	C2	H7	125.013
C2	C1	H5	120.053	C2	C1	H6	121.613
C2	N3	O4	113.465	N3	C2	H7	117.869
H5	C1	H6	118.333

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/SDD

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	-0.422
2	C	-0.112
3	N	0.039
4	O	-0.225
5	H	0.240
6	H	0.232
7	H	0.249

	x	y	z	Total
	1.575	3.483	0.000	3.823
CHELPG
AIM
ESP

	x	y	z
x	6.454	2.504	0.000
y	2.504	5.765	0.000
z	0.000	0.000	1.975

<r²>	77.996
(<r²>)^1/2	8.832

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)