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	hartrees
Energy at 0K	-174.304028
Energy at 298.15K	-174.314431
HF Energy	-174.094464
Nuclear repulsion energy	130.972039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3362	0.89
2	A'	3151	2996	36.34
3	A'	3072	2921	75.25
4	A'	3068	2917	13.25
5	A'	3053	2904	22.81
6	A'	1686	1604	32.47
7	A'	1535	1460	5.94
8	A'	1521	1447	1.03
9	A'	1511	1437	0.02
10	A'	1437	1367	3.34
11	A'	1421	1351	7.04
12	A'	1345	1279	7.10
13	A'	1150	1093	2.62
14	A'	1107	1052	21.03
15	A'	1047	995	0.41
16	A'	917	872	68.63
17	A'	830	789	147.00
18	A'	450	428	3.93
19	A'	268	255	4.89
20	A"	3632	3454	1.06
21	A"	3144	2990	65.72
22	A"	3119	2967	34.76
23	A"	3088	2936	4.68
24	A"	1527	1452	8.32
25	A"	1400	1331	0.14
26	A"	1340	1275	0.46
27	A"	1259	1197	0.01
28	A"	1041	990	0.06
29	A"	870	827	1.28
30	A"	754	717	1.25
31	A"	279	265	46.17
32	A"	228	217	9.74
33	A"	132	126	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.431	1.294	0.000
C2	0.000	0.754	0.000
C3	-0.054	-0.778	0.000
N4	-1.388	-1.380	0.000
H5	1.446	2.385	0.000
H6	1.979	0.953	0.882
H7	1.979	0.953	-0.882
H8	-0.539	1.128	0.878
H9	-0.539	1.128	-0.878
H10	0.480	-1.159	-0.876
H11	0.480	-1.159	0.876
H12	-1.916	-1.092	-0.817
H13	-1.916	-1.092	0.817

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5294	2.5489	3.8852	1.0918	1.0931	1.0931	2.1629	2.1629	2.7722	2.7722	4.1901	4.1901
C2	1.5294		1.5326	2.5453	2.1800	2.1759	2.1759	1.0959	1.0959	2.1577	2.1577	2.7826	2.7826
C3	2.5489	1.5326		1.4635	3.5008	2.8122	2.8122	2.1538	2.1538	1.0945	1.0945	2.0572	2.0572
N4	3.8852	2.5453	1.4635		4.7124	4.1902	4.1902	2.7896	2.7896	2.0754	2.0754	1.0146	1.0146
H5	1.0918	2.1800	3.5008	4.7124		1.7647	1.7647	2.5079	2.5079	3.7762	3.7762	4.9046	4.9046
H6	1.0931	2.1759	2.8122	4.1902	1.7647		1.7649	2.5238	3.0770	3.1301	2.5895	4.7157	4.3993
H7	1.0931	2.1759	2.8122	4.1902	1.7647	1.7649		3.0770	2.5238	2.5895	3.1301	4.3993	4.7157
H8	2.1629	1.0959	2.1538	2.7896	2.5079	2.5238	3.0770		1.7557	3.0569	2.5038	3.1137	2.6127
H9	2.1629	1.0959	2.1538	2.7896	2.5079	3.0770	2.5238	1.7557		2.5038	3.0569	2.6127	3.1137
H10	2.7722	2.1577	1.0945	2.0754	3.7762	3.1301	2.5895	3.0569	2.5038		1.7517	2.3979	2.9348
H11	2.7722	2.1577	1.0945	2.0754	3.7762	2.5895	3.1301	2.5038	3.0569	1.7517		2.9348	2.3979
H12	4.1901	2.7826	2.0572	1.0146	4.9046	4.7157	4.3993	3.1137	2.6127	2.3979	2.9348		1.6342
H13	4.1901	2.7826	2.0572	1.0146	4.9046	4.3993	4.7157	2.6127	3.1137	2.9348	2.3979	1.6342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.695	C1	C2	H8	109.838
C1	C2	H9	109.838	C2	C1	H5	111.448
C2	C1	H6	111.040	C2	C1	H7	111.040
C2	C3	N4	116.305	C2	C3	H10	109.301
C2	C3	H11	109.301	C3	C2	H8	108.910
C3	C2	H9	108.910	C3	N4	H12	110.932
C3	N4	H13	110.932	N4	C3	H10	107.580
N4	C3	H11	107.580	H5	C1	H6	107.743
H5	C1	H7	107.743	H6	C1	H7	107.656
H8	C2	H9	106.448	H10	C3	H11	106.311
H12	N4	H13	107.289

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31+G**

States and conformations

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