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	hartrees
Energy at 0K	-43.122873
Energy at 298.15K	-43.132298
HF Energy	-42.349671
Nuclear repulsion energy	122.475260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3028	60.18
2	A₁	3082	2926	16.51
3	A₁	2154	2045	0.01
4	A₁	1545	1467	14.65
5	A₁	1461	1387	3.59
6	A₁	1299	1233	18.60
7	A₁	914	868	0.86
8	A₁	698	663	1.34
9	A₁	378	359	0.60
10	A₂	3190	3029	0.00
11	A₂	1504	1428	0.00
12	A₂	991	941	0.00
13	A₂	241	229	0.00
14	E	3194	3033	33.78
14	E	3194	3033	33.78
15	E	3184	3023	3.87
15	E	3184	3023	3.87
16	E	3081	2925	22.96
16	E	3081	2925	22.96
17	E	1530	1452	8.21
17	E	1530	1452	8.21
18	E	1512	1436	0.88
18	E	1512	1436	0.88
19	E	1433	1361	8.35
19	E	1433	1361	8.35
20	E	1276	1212	5.36
20	E	1276	1212	5.36
21	E	1079	1024	0.03
21	E	1079	1024	0.03
22	E	977	928	1.58
22	E	977	928	1.58
23	E	559	531	0.71
23	E	559	531	0.71
24	E	359	341	0.06
24	E	359	341	0.06
25	E	293	278	0.05
25	E	293	278	0.05
26	E	174	165	2.79
26	E	174	165	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.234
C2	0.000	0.000	1.257
C3	0.000	1.469	-0.725
C4	1.272	-0.734	-0.725
C5	-1.272	-0.734	-0.725
N6	0.000	0.000	2.459
H7	0.000	1.481	-1.830
H8	1.283	-0.741	-1.830
H9	-1.283	-0.741	-1.830
H10	-0.896	2.003	-0.365
H11	0.896	2.003	-0.365
H12	2.183	-0.225	-0.365
H13	1.287	-1.778	-0.365
H14	-1.287	-1.778	-0.365
H15	-2.183	-0.225	-0.365

	C1	C2	C3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4913	1.5486	1.5486	1.5486	2.6931	2.1771	2.1771	2.1771	2.1983	2.1983	2.1983	2.1983	2.1983	2.1983
C2	1.4913		2.4668	2.4668	2.4668	1.2019	3.4238	3.4238	3.4238	2.7288	2.7288	2.7288	2.7288	2.7288	2.7288
C3	1.5486	2.4668		2.5440	2.5440	3.5062	1.1050	2.7835	2.7835	1.1037	1.1037	2.7865	3.5106	3.5106	2.7865
C4	1.5486	2.4668	2.5440		2.5440	3.5062	2.7835	1.1050	2.7835	3.5106	2.7865	1.1037	1.1037	2.7865	3.5106
C5	1.5486	2.4668	2.5440	2.5440		3.5062	2.7835	2.7835	1.1050	2.7865	3.5106	3.5106	2.7865	1.1037	1.1037
N6	2.6931	1.2019	3.5062	3.5062	3.5062		4.5373	4.5373	4.5373	3.5762	3.5762	3.5762	3.5762	3.5762	3.5762
H7	2.1771	3.4238	1.1050	2.7835	2.7835	4.5373		2.5656	2.5656	1.7948	1.7948	3.1342	3.7975	3.7975	3.1342
H8	2.1771	3.4238	2.7835	1.1050	2.7835	4.5373	2.5656		2.5656	3.7975	3.1342	1.7948	1.7948	3.1342	3.7975
H9	2.1771	3.4238	2.7835	2.7835	1.1050	4.5373	2.5656	2.5656		3.1342	3.7975	3.7975	3.1342	1.7948	1.7948
H10	2.1983	2.7288	1.1037	3.5106	2.7865	3.5762	1.7948	3.7975	3.1342		1.7924	3.8008	4.3656	3.8008	2.5732
H11	2.1983	2.7288	1.1037	2.7865	3.5106	3.5762	1.7948	3.1342	3.7975	1.7924		2.5732	3.8008	4.3656	3.8008
H12	2.1983	2.7288	2.7865	1.1037	3.5106	3.5762	3.1342	1.7948	3.7975	3.8008	2.5732		1.7924	3.8008	4.3656
H13	2.1983	2.7288	3.5106	1.1037	2.7865	3.5762	3.7975	1.7948	3.1342	4.3656	3.8008	1.7924		2.5732	3.8008
H14	2.1983	2.7288	3.5106	2.7865	1.1037	3.5762	3.7975	3.1342	1.7948	3.8008	4.3656	3.8008	2.5732		1.7924
H15	2.1983	2.7288	2.7865	3.5106	1.1037	3.5762	3.1342	3.7975	1.7948	2.5732	3.8008	4.3656	3.8008	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	H7	109.115
C1	C3	H10	110.845	C1	C3	H11	110.845
C1	C4	H8	109.115	C1	C4	H12	110.845
C1	C4	H13	110.845	C1	C5	H9	109.115
C1	C5	H14	110.845	C1	C5	H15	110.845
C2	C1	C3	108.470	C2	C1	C4	108.470
C2	C1	C5	108.470	C3	C1	C4	110.454
C3	C1	C5	110.454	C4	C1	C5	110.454
H7	C3	H10	108.699	H7	C3	H11	108.699
H8	C4	H12	108.699	H8	C4	H13	108.699
H9	C5	H14	108.699	H9	C5	H15	108.699
H10	C3	H11	108.585	H12	C4	H13	108.585
H14	C5	H15	108.585

All results from a given calculation for C₅H₉N (Propanenitrile, 2,2-dimethyl-)

using model chemistry: MP2/CEP-31G*

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 C5H9N (Propanenitrile, 2,2-dimethyl-)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₅H₉N (Propanenitrile, 2,2-dimethyl-)