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	hartrees
Energy at 0K	-284.347641
Energy at 298.15K	-284.354486
Nuclear repulsion energy	180.111891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3630	51.90
2	A'	3532	3383	1.44
3	A'	3062	2933	16.70
4	A'	1868	1789	255.81
5	A'	1673	1602	18.49
6	A'	1447	1386	12.45
7	A'	1415	1356	36.88
8	A'	1313	1257	11.76
9	A'	1183	1133	97.94
10	A'	1155	1106	163.20
11	A'	944	904	127.66
12	A'	838	802	84.62
13	A'	639	612	8.48
14	A'	463	444	32.74
15	A'	253	242	9.92
16	A"	3605	3453	3.68
17	A"	3104	2973	6.49
18	A"	1383	1325	0.15
19	A"	1174	1124	1.17
20	A"	918	879	4.07
21	A"	673	644	89.12
22	A"	510	489	27.54
23	A"	200	191	41.53
24	A"	50	48	8.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.547	0.000
O2	1.174	0.803	0.000
O3	-0.960	1.489	0.000
C4	-0.583	-0.851	0.000
N5	0.394	-1.912	0.000
H6	-0.501	2.339	0.000
H7	-1.241	-0.939	0.870
H8	-1.241	-0.939	-0.870
H9	1.003	-1.795	0.802
H10	1.003	-1.795	-0.802

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2016	1.3440	1.5153	2.4906	1.8606	2.1228	2.1228	2.6711	2.6711
O2	1.2016		2.2410	2.4132	2.8250	2.2730	3.1021	3.1021	2.7243	2.7243
O3	1.3440	2.2410		2.3701	3.6598	0.9663	2.5941	2.5941	3.9083	3.9083
C4	1.5153	2.4132	2.3701		1.4415	3.1916	1.0947	1.0947	2.0118	2.0118
N5	2.4906	2.8250	3.6598	1.4415		4.3443	2.0918	2.0918	1.0139	1.0139
H6	1.8606	2.2730	0.9663	3.1916	4.3443		3.4714	3.4714	4.4717	4.4717
H7	2.1228	3.1021	2.5941	1.0947	2.0918	3.4714		1.7410	2.4022	2.9263
H8	2.1228	3.1021	2.5941	1.0947	2.0918	3.4714	1.7410		2.9263	2.4022
H9	2.6711	2.7243	3.9083	2.0118	1.0139	4.4717	2.4022	2.9263		1.6039
H10	2.6711	2.7243	3.9083	2.0118	1.0139	4.4717	2.9263	2.4022	1.6039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.132	C1	C4	N5	114.753
C1	C4	H7	107.755	C1	C4	H8	107.755
O2	C1	O3	123.269	O2	C1	C4	124.900
O3	C1	C4	111.831	C4	N5	H9	108.782
C4	N5	H10	108.782	N5	C4	H7	110.381
N5	C4	H8	110.381	H7	C4	H8	105.346
H9	N5	H10	104.553

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: B1B95/6-31G(2df,p)

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	0.412
2	O	-0.354
3	O	-0.390
4	C	-0.266
5	N	-0.524
6	H	0.313
7	H	0.155
8	H	0.155
9	H	0.250
10	H	0.250

	x	y	z	Total
	-0.743	0.973	0.000	1.224
CHELPG
AIM
ESP

	x	y	z
x	5.579	-0.295	0.000
y	-0.295	5.884	0.000
z	0.000	0.000	4.072

<r²>	116.080
(<r²>)^1/2	10.774

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)