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	hartrees
Energy at 0K	-173.976317
Energy at 298.15K	-173.986777
HF Energy	-173.304566
Nuclear repulsion energy	131.115238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3369	0.82
2	A'	3189	3005	36.32
3	A'	3106	2927	65.57
4	A'	3101	2922	13.46
5	A'	3090	2912	24.22
6	A'	1714	1615	32.46
7	A'	1558	1468	4.26
8	A'	1546	1456	1.32
9	A'	1538	1449	0.05
10	A'	1467	1383	1.54
11	A'	1454	1370	7.97
12	A'	1368	1289	8.47
13	A'	1172	1104	3.84
14	A'	1134	1069	17.72
15	A'	1071	1010	0.42
16	A'	942	888	87.02
17	A'	866	816	110.86
18	A'	457	431	3.56
19	A'	273	257	4.89
20	A"	3673	3461	0.57
21	A"	3182	2998	64.65
22	A"	3158	2976	34.48
23	A"	3128	2948	4.31
24	A"	1549	1459	6.83
25	A"	1418	1336	0.24
26	A"	1358	1279	0.49
27	A"	1281	1207	0.05
28	A"	1054	993	0.23
29	A"	882	831	1.28
30	A"	759	715	0.56
31	A"	276	260	48.29
32	A"	231	218	8.86
33	A"	133	126	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	1.431	1.290	0.000
C2	0.000	0.752	0.000
C3	-0.052	-0.778	0.000
N4	-1.389	-1.376	0.000
H5	1.445	2.380	0.000
H6	1.975	0.947	0.882
H7	1.975	0.947	-0.882
H8	-0.538	1.125	0.878
H9	-0.538	1.125	-0.878
H10	0.480	-1.159	-0.876
H11	0.480	-1.159	0.876
H12	-1.912	-1.076	-0.815
H13	-1.912	-1.076	0.815

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5286	2.5449	3.8806	1.0906	1.0919	1.0919	2.1615	2.1615	2.7688	2.7688	4.1755	4.1755
C2	1.5286		1.5309	2.5412	2.1773	2.1722	2.1722	1.0947	1.0947	2.1558	2.1558	2.7677	2.7677
C3	2.5449	1.5309		1.4645	3.4955	2.8048	2.8048	2.1511	2.1511	1.0933	1.0933	2.0522	2.0522
N4	3.8806	2.5412	1.4645		4.7057	4.1829	4.1829	2.7837	2.7837	2.0757	2.0757	1.0138	1.0138
H5	1.0906	2.1773	3.4955	4.7057		1.7644	1.7644	2.5057	2.5057	3.7714	3.7714	4.8867	4.8867
H6	1.0919	2.1722	2.8048	4.1829	1.7644		1.7646	2.5192	3.0730	3.1245	2.5829	4.6995	4.3827
H7	1.0919	2.1722	2.8048	4.1829	1.7644	1.7646		3.0730	2.5192	2.5829	3.1245	4.3827	4.6995
H8	2.1615	1.0947	2.1511	2.7837	2.5057	2.5192	3.0730		1.7552	3.0536	2.4999	3.0978	2.5952
H9	2.1615	1.0947	2.1511	2.7837	2.5057	3.0730	2.5192	1.7552		2.4999	3.0536	2.5952	3.0978
H10	2.7688	2.1558	1.0933	2.0757	3.7714	3.1245	2.5829	3.0536	2.4999		1.7519	2.3942	2.9306
H11	2.7688	2.1558	1.0933	2.0757	3.7714	2.5829	3.1245	2.4999	3.0536	1.7519		2.9306	2.3942
H12	4.1755	2.7677	2.0522	1.0138	4.8867	4.6995	4.3827	3.0978	2.5952	2.3942	2.9306		1.6303
H13	4.1755	2.7677	2.0522	1.0138	4.8867	4.3827	4.6995	2.5952	3.0978	2.9306	2.3942	1.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.565	C1	C2	H8	109.865
C1	C2	H9	109.865	C2	C1	H5	111.365
C2	C1	H6	110.875	C2	C1	H7	110.875
C2	C3	N4	116.045	C2	C3	H10	109.338
C2	C3	H11	109.338	C3	C2	H8	108.889
C3	C2	H9	108.889	C3	N4	H12	110.477
C3	N4	H13	110.477	N4	C3	H10	107.603
N4	C3	H11	107.603	H5	C1	H6	107.883
H5	C1	H7	107.883	H6	C1	H7	107.813
H8	C2	H9	106.581	H10	C3	H11	106.488
H12	N4	H13	107.034

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: CCD/6-31+G**

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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All results from a given calculation for NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)