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	hartrees
Energy at 0K	-284.442288
Energy at 298.15K	-284.449232
Nuclear repulsion energy	179.939298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3651	59.27
2	A'	3545	3391	1.23
3	A'	3069	2936	17.38
4	A'	1867	1786	296.69
5	A'	1687	1614	22.23
6	A'	1459	1395	16.03
7	A'	1421	1359	33.58
8	A'	1321	1264	8.92
9	A'	1190	1139	132.07
10	A'	1159	1109	162.40
11	A'	941	901	132.84
12	A'	842	805	98.21
13	A'	649	620	8.20
14	A'	471	450	32.65
15	A'	258	247	10.25
16	A"	3617	3461	3.22
17	A"	3107	2972	8.34
18	A"	1394	1334	0.44
19	A"	1189	1138	1.31
20	A"	928	888	4.35
21	A"	671	642	99.87
22	A"	513	490	34.77
23	A"	227	218	47.94
24	A"	61	58	6.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
O2	1.170	0.821	0.000
O3	-0.969	1.482	0.000
C4	-0.572	-0.853	0.000
N5	0.400	-1.917	0.000
H6	-0.528	2.340	0.000
H7	-1.230	-0.941	0.869
H8	-1.230	-0.941	-0.869
H9	1.006	-1.823	0.806
H10	1.006	-1.823	-0.806

	C1	O2	O3	C4	N5	H6	H7	H8	H9	H10
C1		1.2007	1.3446	1.5152	2.4991	1.8665	2.1196	2.1196	2.7002	2.7002
O2	1.2007		2.2384	2.4161	2.8444	2.2777	3.1019	3.1019	2.7690	2.7690
O3	1.3446	2.2384		2.3687	3.6644	0.9651	2.5877	2.5877	3.9335	3.9335
C4	1.5152	2.4161	2.3687		1.4411	3.1937	1.0940	1.0940	2.0200	2.0200
N5	2.4991	2.8444	3.6644	1.4411		4.3571	2.0894	2.0894	1.0128	1.0128
H6	1.8665	2.2777	0.9651	3.1937	4.3571		3.4666	3.4666	4.5091	4.5091
H7	2.1196	3.1019	2.5877	1.0940	2.0894	3.4666		1.7389	2.4047	2.9300
H8	2.1196	3.1019	2.5877	1.0940	2.0894	3.4666	1.7389		2.9300	2.4047
H9	2.7002	2.7690	3.9335	2.0200	1.0128	4.5091	2.4047	2.9300		1.6118
H10	2.7002	2.7690	3.9335	2.0200	1.0128	4.5091	2.9300	2.4047	1.6118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	106.673	C1	C4	N5	115.398
C1	C4	H7	107.558	C1	C4	H8	107.558
O2	C1	O3	123.043	O2	C1	C4	125.249
O3	C1	C4	111.707	C4	N5	H9	109.571
C4	N5	H10	109.571	N5	C4	H7	110.266
N5	C4	H8	110.266	H7	C4	H8	105.260
H9	N5	H10	105.449

All results from a given calculation for H₂NCH₂COOH (Glycine)

using model chemistry: mPW1PW91/6-311G**

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	0.317
2	O	-0.351
3	O	-0.330
4	C	-0.172
5	N	-0.450
6	H	0.258
7	H	0.163
8	H	0.163
9	H	0.202
10	H	0.202

	x	y	z	Total
	-0.741	0.974	0.000	1.224
CHELPG
AIM
ESP

	x	y	z
x	5.624	-0.297	0.000
y	-0.297	5.822	0.000
z	0.000	0.000	3.971

<r²>	116.906
(<r²>)^1/2	10.812

All results from a given calculation for H2NCH2COOH (Glycine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for H₂NCH₂COOH (Glycine)