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	hartrees
Energy at 0K	-173.236871
Energy at 298.15K	-173.245334
HF Energy	-173.236871
Nuclear repulsion energy	125.368852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3384	0.73
2	A'	3253	3111	19.54
3	A'	3157	3020	6.76
4	A'	3093	2959	52.05
5	A'	1664	1592	20.50
6	A'	1519	1453	20.25
7	A'	1425	1363	16.49
8	A'	1252	1197	1.20
9	A'	1192	1140	6.30
10	A'	1060	1014	15.44
11	A'	1021	977	6.51
12	A'	859	822	77.95
13	A'	821	786	78.42
14	A'	788	753	4.85
15	A'	415	397	5.86
16	A"	3619	3461	0.77
17	A"	3240	3099	0.15
18	A"	3150	3013	22.37
19	A"	1459	1395	4.27
20	A"	1280	1225	1.13
21	A"	1205	1153	0.16
22	A"	1133	1084	0.58
23	A"	1075	1029	1.89
24	A"	912	872	11.06
25	A"	851	814	4.24
26	A"	405	388	7.04
27	A"	273	261	36.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.410	0.000
H2	-1.268	0.937	0.000
N3	0.888	1.200	0.000
C4	-0.311	-0.890	0.751
C5	-0.311	-0.890	-0.751
H6	0.932	1.788	0.822
H7	0.932	1.788	-0.822
H8	-1.214	-1.180	1.275
H9	-1.214	-1.180	-1.275
H10	0.602	-1.168	1.264
H11	0.602	-1.168	-1.264

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0930	1.4356	1.5014	1.5014	2.0294	2.0294	2.2300	2.2300	2.2186	2.2186
H2	1.0930		2.1723	2.1954	2.1954	2.4983	2.4983	2.4725	2.4725	3.0870	3.0870
N3	1.4356	2.1723		2.5238	2.5238	1.0114	1.0114	3.4224	3.4224	2.6996	2.6996
C4	1.5014	2.1954	2.5238		1.5010	2.9534	3.3451	1.0845	2.2370	1.0836	2.2289
C5	1.5014	2.1954	2.5238	1.5010		3.3451	2.9534	2.2370	1.0845	2.2289	1.0836
H6	2.0294	2.4983	1.0114	2.9534	3.3451		1.6436	3.6912	4.2210	3.0073	3.6329
H7	2.0294	2.4983	1.0114	3.3451	2.9534	1.6436		4.2210	3.6912	3.6329	3.0073
H8	2.2300	2.4725	3.4224	1.0845	2.2370	3.6912	4.2210		2.5503	1.8167	3.1219
H9	2.2300	2.4725	3.4224	2.2370	1.0845	4.2210	3.6912	2.5503		3.1219	1.8167
H10	2.2186	3.0870	2.6996	1.0836	2.2289	3.0073	3.6329	1.8167	3.1219		2.5274
H11	2.2186	3.0870	2.6996	2.2289	1.0836	3.6329	3.0073	3.1219	1.8167	2.5274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.879	C1	N3	H7	110.879
C1	C4	C5	60.009	C1	C4	H8	118.266
C1	C4	H10	117.325	C1	C5	C4	60.009
C1	C5	H9	118.266	C1	C5	H11	117.325
H2	C1	N3	117.790	H2	C1	C4	114.685
H2	C1	C5	114.685	N3	C1	C4	118.460
N3	C1	C5	118.460	C4	C1	C5	59.982
C4	C5	H9	118.932	C4	C5	H11	118.268
C5	C4	H8	118.932	C5	C4	H10	118.268
H6	N3	H7	108.693	H8	C4	H10	113.845
H9	C5	H11	113.845

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: wB97X-D/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	-0.105
2	H	0.116
3	N	-0.463
4	C	-0.242
5	C	-0.242
6	H	0.201
7	H	0.201
8	H	0.129
9	H	0.129
10	H	0.137
11	H	0.137

	x	y	z	Total
	-0.763	1.112	0.000	1.349
CHELPG
AIM
ESP

	x	y	z
x	5.607	0.492	0.000
y	0.492	6.170	0.000
z	0.000	0.000	5.905

<r²>	77.229
(<r²>)^1/2	8.788

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)