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	hartrees
Energy at 0K	-173.222468
Energy at 298.15K	-173.230908
Nuclear repulsion energy	125.403930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3386	0.16
2	A	3273	3115	13.67
3	A	3177	3024	6.02
4	A	3108	2958	50.78
5	A	1672	1592	24.52
6	A	1522	1449	22.35
7	A	1422	1353	24.33
8	A	1262	1201	0.94
9	A	1194	1137	6.27
10	A	1063	1011	17.90
11	A	1027	978	5.77
12	A	849	808	27.16
13	A	799	761	154.74
14	A	780	743	3.41
15	A	414	394	6.74
16	A	3651	3475	3.85
17	A	3261	3104	0.34
18	A	3172	3019	20.05
19	A	1460	1390	2.69
20	A	1268	1207	2.03
21	A	1202	1144	0.29
22	A	1134	1080	1.21
23	A	1078	1026	2.76
24	A	918	874	11.91
25	A	852	811	3.39
26	A	400	381	6.57
27	A	279	266	37.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.528	0.000
H2	-0.418	1.536	0.000
N3	1.428	0.383	0.000
C4	-0.788	-0.505	0.752
C5	-0.788	-0.505	-0.752
H6	1.844	0.806	0.821
H7	1.844	0.806	-0.821
H8	-1.687	-0.190	1.272
H9	-1.687	-0.190	-1.272
H10	-0.216	-1.282	1.246
H11	-0.216	-1.282	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0918	1.4350	1.5011	1.5011	2.0379	2.0379	2.2310	2.2310	2.2081	2.2081
H2	1.0918		2.1764	2.2065	2.2065	2.5151	2.5151	2.4913	2.4913	3.0883	3.0883
N3	1.4350	2.1764		2.5031	2.5031	1.0130	1.0130	3.4126	3.4126	2.6514	2.6514
C4	1.5011	2.2065	2.5031		1.5049	2.9416	3.3353	1.0844	2.2369	1.0842	2.2193
C5	1.5011	2.2065	2.5031	1.5049		3.3353	2.9416	2.2369	1.0844	2.2193	1.0842
H6	2.0379	2.5151	1.0130	2.9416	3.3353		1.6419	3.6964	4.2237	2.9646	3.5888
H7	2.0379	2.5151	1.0130	3.3353	2.9416	1.6419		4.2237	3.6964	3.5888	2.9646
H8	2.2310	2.4913	3.4126	1.0844	2.2369	3.6964	4.2237		2.5436	1.8320	3.1135
H9	2.2310	2.4913	3.4126	2.2369	1.0844	4.2237	3.6964	2.5436		3.1135	1.8320
H10	2.2081	3.0883	2.6514	1.0842	2.2193	2.9646	3.5888	1.8320	3.1135		2.4916
H11	2.2081	3.0883	2.6514	2.2193	1.0842	3.5888	2.9646	3.1135	1.8320	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.537	C1	N3	H7	111.537
C1	C4	C5	59.916	C1	C4	H8	118.393
C1	C4	H10	116.390	C1	C5	C4	59.916
C1	C5	H9	118.393	C1	C5	H11	116.390
H2	C1	N3	118.295	H2	C1	C4	115.732
H2	C1	C5	115.732	N3	C1	C4	116.953
N3	C1	C5	116.953	C4	C1	C5	60.168
C4	C5	H9	118.613	C4	C5	H11	117.067
C5	C4	H8	118.613	C5	C4	H10	117.067
H6	N3	H7	108.269	H8	C4	H10	115.300
H9	C5	H11	115.300

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31+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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Number	Element	Mulliken
1	C	-0.298
2	H	0.153
3	N	-0.593
4	C	-0.277
5	C	-0.277
6	H	0.299
7	H	0.299
8	H	0.166
9	H	0.166
10	H	0.181
11	H	0.181

	x	y	z	Total
	-0.017	1.343	0.000	1.344
CHELPG
AIM
ESP

<r²>	77.445
(<r²>)^1/2	8.800

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)