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	hartrees
Energy at 0K	-209.065927
Energy at 298.15K	-209.060164
HF Energy	-209.191293
Nuclear repulsion energy	122.303612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3707	41.85
2	A	3668	3540	15.39
3	A	3560	3435	14.39
4	A	3261	3147	9.88
5	A	3176	3065	0.53
6	A	1739	1678	295.22
7	A	1637	1580	53.72
8	A	1459	1408	4.39
9	A	1433	1382	48.66
10	A	1232	1189	106.16
11	A	1125	1086	67.11
12	A	983	948	3.68
13	A	940	907	24.20
14	A	729	704	173.75
15	A	684	660	30.02
16	A	682	659	3.52
17	A	590	569	172.56
18	A	512	494	11.78
19	A	461	445	24.29
20	A	414	400	68.54
21	A	223	216	38.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.060	-0.042	-0.007
C2	1.179	-0.779	0.018
N3	-1.240	-0.524	-0.092
O4	0.032	1.321	-0.006
H5	2.155	-0.315	-0.020
H6	1.134	-1.859	0.034
H7	-1.331	-1.496	0.166
H8	-1.909	0.060	0.390
H9	0.939	1.639	0.052

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.3395	1.3892	1.3636	2.1128	2.1107	2.0194	2.0116	1.8976
C2	1.3395		2.4343	2.3925	1.0821	1.0811	2.6142	3.2213	2.4297
N3	1.3892	2.4343		2.2433	3.4024	2.7261	1.0090	1.0112	3.0736
O4	1.3636	2.3925	2.2433		2.6800	3.3656	3.1341	2.3486	0.9622
H5	2.1128	1.0821	3.4024	2.6800		1.8523	3.6857	4.1022	2.3022
H6	2.1107	1.0811	2.7261	3.3656	1.8523		2.4951	3.6154	3.5031
H7	2.0194	2.6142	1.0090	3.1341	3.6857	2.4951		1.6750	3.8717
H8	2.0116	3.2213	1.0112	2.3486	4.1022	3.6154	1.6750		3.2737
H9	1.8976	2.4297	3.0736	0.9622	2.3022	3.5031	3.8717	3.2737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.133	C1	C2	H6	121.025
C1	N3	H7	113.764	C1	N3	H8	112.919
C1	O4	H9	108.114	C2	C1	N3	126.254
C2	C1	O4	124.538	N3	C1	O4	109.160
H5	C2	H6	117.797	H7	N3	H8	112.032

All results from a given calculation for CH₂C(OH)NH₂ (1-amino vinyl alchohol)

using model chemistry: G4

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	0.451
2	C	-0.483
3	N	-0.532
4	O	-0.412
5	H	0.083
6	H	0.090
7	H	0.251
8	H	0.251
9	H	0.302

	x	y	z	Total
	-0.147	-0.039	1.082	1.093
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	73.944
(<r²>)^1/2	8.599

All results from a given calculation for CH2C(OH)NH2 (1-amino vinyl alchohol)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₂C(OH)NH₂ (1-amino vinyl alchohol)