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	hartrees
Energy at 0K	-172.296157
Energy at 298.15K	-172.304473
Nuclear repulsion energy	125.442778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3394	3356	1.35
2	A	3181	3146	5.26
3	A	3076	3042	2.49
4	A	2972	2939	58.16
5	A	1562	1545	11.70
6	A	1452	1436	32.91
7	A	1340	1325	7.51
8	A	1213	1200	0.19
9	A	1158	1145	5.21
10	A	1030	1019	4.46
11	A	969	958	20.88
12	A	833	824	16.61
13	A	794	785	128.72
14	A	741	733	2.94
15	A	399	394	4.47
16	A	3475	3437	1.34
17	A	3170	3135	0.40
18	A	3071	3037	10.50
19	A	1339	1324	7.26
20	A	1224	1210	0.63
21	A	1130	1118	0.16
22	A	1059	1047	0.45
23	A	998	987	1.01
24	A	904	894	9.10
25	A	798	789	0.87
26	A	393	389	9.90
27	A	275	272	30.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.426	0.000
H2	-1.287	0.977	0.000
N3	0.909	1.144	0.000
C4	-0.322	-0.871	0.750
C5	-0.322	-0.871	-0.750
H6	0.967	1.759	0.824
H7	0.967	1.759	-0.824
H8	-1.236	-1.175	1.280
H9	-1.236	-1.175	-1.280
H10	0.627	-1.126	1.246
H11	0.627	-1.126	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1115	1.4247	1.4984	1.4984	2.0289	2.0289	2.2449	2.2449	2.2047	2.2047
H2	1.1115		2.2015	2.2163	2.2163	2.5233	2.5233	2.5052	2.5052	3.1046	3.1046
N3	1.4247	2.2015		2.4778	2.4778	1.0299	1.0299	3.4090	3.4090	2.6050	2.6050
C4	1.4984	2.2163	2.4778		1.4999	2.9299	3.3252	1.1002	2.2474	1.1005	2.2249
C5	1.4984	2.2163	2.4778	1.4999		3.3252	2.9299	2.2474	1.1002	2.2249	1.1005
H6	2.0289	2.5233	1.0299	2.9299	3.3252		1.6487	3.6975	4.2300	2.9351	3.5672
H7	2.0289	2.5233	1.0299	3.3252	2.9299	1.6487		4.2300	3.6975	3.5672	2.9351
H8	2.2449	2.5052	3.4090	1.1002	2.2474	3.6975	4.2300		2.5606	1.8644	3.1400
H9	2.2449	2.5052	3.4090	2.2474	1.1002	4.2300	3.6975	2.5606		3.1400	1.8644
H10	2.2047	3.1046	2.6050	1.1005	2.2249	2.9351	3.5672	1.8644	3.1400		2.4930
H11	2.2047	3.1046	2.6050	2.2249	1.1005	3.5672	2.9351	3.1400	1.8644	2.4930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.464	C1	N3	H7	110.464
C1	C4	C5	59.968	C1	C4	H8	118.711
C1	C4	H10	115.200	C1	C5	C4	59.968
C1	C5	H9	118.711	C1	C5	H11	115.200
H2	C1	N3	119.958	H2	C1	C4	115.444
H2	C1	C5	115.444	N3	C1	C4	115.891
N3	C1	C5	115.891	C4	C1	C5	60.063
C4	C5	H9	118.819	C4	C5	H11	116.821
C5	C4	H8	118.819	C5	C4	H10	116.821
H6	N3	H7	106.340	H8	C4	H10	115.813
H9	C5	H11	115.813

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.140
2	H	0.024
3	N	-0.171
4	C	-0.087
5	C	-0.087
6	H	0.109
7	H	0.109
8	H	0.061
9	H	0.061
10	H	0.061
11	H	0.061

	x	y	z	Total
	-0.529	1.222	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	5.823	0.559	0.000
y	0.559	6.246	0.000
z	0.000	0.000	5.875

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)