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	hartrees
Energy at 0K	-173.997528
Energy at 298.15K	-174.008006
HF Energy	-173.298044
Nuclear repulsion energy	130.327448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3451	3324
2	A'	3132	3017
3	A'	3043	2931
4	A'	3035	2924
5	A'	3024	2913
6	A'	1660	1599
7	A'	1500	1444
8	A'	1487	1432
9	A'	1476	1421
10	A'	1412	1360
11	A'	1402	1350
12	A'	1319	1270
13	A'	1160	1118
14	A'	1112	1071
15	A'	1059	1020
16	A'	965	929
17	A'	874	842
18	A'	448	432
19	A'	263	254
20	A"	3533	3403
21	A"	3124	3009
22	A"	3089	2975
23	A"	3061	2949
24	A"	1491	1436
25	A"	1397	1345
26	A"	1317	1269
27	A"	1242	1196
28	A"	1037	998
29	A"	858	827
30	A"	744	717
31	A"	316	305
32	A"	236	227
33	A"	134	129

Atom	x (Å)	y (Å)	z (Å)
C1	1.434	1.295	0.000
C2	0.000	0.747	0.000
C3	-0.053	-0.790	0.000
N4	-1.398	-1.386	0.000
H5	1.445	2.400	0.000
H6	1.988	0.950	0.893
H7	1.988	0.950	-0.893
H8	-0.547	1.125	0.889
H9	-0.547	1.125	-0.889
H10	0.491	-1.174	-0.886
H11	0.491	-1.174	0.886
H12	-1.906	-1.007	-0.808
H13	-1.906	-1.007	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5349	2.5604	3.8996	1.1049	1.1066	1.1066	2.1778	2.1778	2.7877	2.7877	4.1358	4.1358
C2	1.5349		1.5374	2.5503	2.1959	2.1893	2.1893	1.1098	1.1098	2.1717	2.1717	2.7131	2.7131
C3	2.5604	1.5374		1.4716	3.5239	2.8267	2.8267	2.1676	2.1676	1.1085	1.1085	2.0333	2.0333
N4	3.8996	2.5503	1.4716		4.7349	4.2099	4.2099	2.7958	2.7958	2.0973	2.0973	1.0270	1.0270
H5	1.1049	2.1959	3.5239	4.7349		1.7874	1.7874	2.5272	2.5272	3.8040	3.8040	4.8467	4.8467
H6	1.1066	2.1893	2.8267	4.2099	1.7874		1.7863	2.5417	3.1040	3.1497	2.5989	4.6786	4.3591
H7	1.1066	2.1893	2.8267	4.2099	1.7874	1.7863		3.1040	2.5417	2.5989	3.1497	4.3591	4.6786
H8	2.1778	1.1098	2.1676	2.7958	2.5272	2.5417	3.1040		1.7771	3.0841	2.5222	3.0443	2.5289
H9	2.1778	1.1098	2.1676	2.7958	2.5272	3.1040	2.5417	1.7771		2.5222	3.0841	2.5289	3.0443
H10	2.7877	2.1717	1.1085	2.0973	3.8040	3.1497	2.5989	3.0841	2.5222		1.7726	2.4038	2.9399
H11	2.7877	2.1717	1.1085	2.0973	3.8040	2.5989	3.1497	2.5222	3.0841	1.7726		2.9399	2.4038
H12	4.1358	2.7131	2.0333	1.0270	4.8467	4.6786	4.3591	3.0443	2.5289	2.4038	2.9399		1.6163
H13	4.1358	2.7131	2.0333	1.0270	4.8467	4.3591	4.6786	2.5289	3.0443	2.9399	2.4038	1.6163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.894	C1	C2	H8	109.816
C1	C2	H9	109.816	C2	C1	H5	111.539
C2	C1	H6	110.907	C2	C1	H7	110.907
C2	C3	N4	115.875	C2	C3	H10	109.254
C2	C3	H11	109.254	C3	C2	H8	108.860
C3	C2	H9	108.860	C3	N4	H12	107.600
C3	N4	H13	107.600	N4	C3	H10	107.925
N4	C3	H11	107.925	H5	C1	H6	107.848
H5	C1	H7	107.848	H6	C1	H7	107.629
H8	C2	H9	106.377	H10	C3	H11	106.171
H12	N4	H13	103.796

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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