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	hartrees
Energy at 0K	-173.168801
Energy at 298.15K	-173.177060
Nuclear repulsion energy	123.775457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	3362	3.98
2	A	3154	3137	21.62
3	A	3064	3048	8.20
4	A	2983	2967	61.93
5	A	1617	1608	18.22
6	A	1459	1451	12.90
7	A	1359	1351	34.93
8	A	1198	1192	2.98
9	A	1135	1129	4.71
10	A	1010	1004	23.12
11	A	969	964	1.54
12	A	804	800	45.57
13	A	771	767	116.28
14	A	739	735	5.89
15	A	398	396	6.44
16	A	3465	3446	0.33
17	A	3141	3125	0.27
18	A	3060	3044	26.88
19	A	1421	1414	1.05
20	A	1219	1213	1.24
21	A	1161	1155	0.25
22	A	1090	1084	1.14
23	A	1030	1025	2.54
24	A	854	850	6.77
25	A	815	811	6.44
26	A	381	379	5.89
27	A	263	262	35.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.534	0.000
H2	-0.417	1.553	0.000
N3	1.451	0.384	0.000
C4	-0.801	-0.510	0.764
C5	-0.801	-0.510	-0.764
H6	1.868	0.824	0.828
H7	1.868	0.824	-0.828
H8	-1.704	-0.190	1.288
H9	-1.704	-0.190	-1.288
H10	-0.229	-1.297	1.261
H11	-0.229	-1.297	-1.261

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1008	1.4584	1.5212	1.5212	2.0633	2.0633	2.2557	2.2557	2.2352	2.2352
H2	1.1008		2.2029	2.2331	2.2331	2.5367	2.5367	2.5208	2.5208	3.1224	3.1224
N3	1.4584	2.2029		2.5400	2.5400	1.0258	1.0258	3.4559	3.4559	2.6906	2.6906
C4	1.5212	2.2331	2.5400		1.5271	2.9837	3.3810	1.0931	2.2649	1.0926	2.2460
C5	1.5212	2.2331	2.5400	1.5271		3.3810	2.9837	2.2649	1.0931	2.2460	1.0926
H6	2.0633	2.5367	1.0258	2.9837	3.3810		1.6558	3.7412	4.2736	3.0136	3.6410
H7	2.0633	2.5367	1.0258	3.3810	2.9837	1.6558		4.2736	3.7412	3.6410	3.0136
H8	2.2557	2.5208	3.4559	1.0931	2.2649	3.7412	4.2736		2.5768	1.8452	3.1468
H9	2.2557	2.5208	3.4559	2.2649	1.0931	4.2736	3.7412	2.5768		3.1468	1.8452
H10	2.2352	3.1224	2.6906	1.0926	2.2460	3.0136	3.6410	1.8452	3.1468		2.5215
H11	2.2352	3.1224	2.6906	2.2460	1.0926	3.6410	3.0136	3.1468	1.8452	2.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.115	C1	N3	H7	111.115
C1	C4	C5	59.873	C1	C4	H8	118.347
C1	C4	H10	116.590	C1	C5	C4	59.873
C1	C5	H9	118.347	C1	C5	H11	116.590
H2	C1	N3	118.129	H2	C1	C4	115.856
H2	C1	C5	115.856	N3	C1	C4	116.943
N3	C1	C5	116.943	C4	C1	C5	60.253
C4	C5	H9	118.696	C4	C5	H11	117.070
C5	C4	H8	118.696	C5	C4	H10	117.070
H6	N3	H7	107.630	H8	C4	H10	115.171
H9	C5	H11	115.171

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: BLYP/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	-0.310
2	H	0.124
3	N	-0.548
4	C	-0.202
5	C	-0.202
6	H	0.277
7	H	0.277
8	H	0.139
9	H	0.139
10	H	0.153
11	H	0.153

	x	y	z	Total
	-0.048	1.339	0.000	1.340
CHELPG
AIM
ESP

<r²>	79.587
(<r²>)^1/2	8.921

All results from a given calculation for C3H7N (Cyclopropylamine)

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

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)