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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
qp2/data/basis/cc-pvtz-pp
2019-01-25 11:39:31 +01:00

800 lines
33 KiB
Plaintext

HAFNIUM
S 9
1 26.5042000 0.0320170
2 16.5840000 -0.2583380
3 10.3831000 0.7419580
4 6.4955000 -0.5972460
5 3.4643100 -0.4674330
6 0.9862000 0.7814380
7 0.4578280 0.5337560
8 0.1321180 0.0363800
9 0.0669670 -0.0136480
S 9
1 26.5042000 -0.0092200
2 16.5840000 0.0766750
3 10.3831000 -0.2256410
4 6.4955000 0.1855680
5 3.4643100 0.1565490
6 0.9862000 -0.3114170
7 0.4578280 -0.3945230
8 0.1321180 0.2034830
9 0.0669670 0.6862960
S 9
1 26.5042000 -0.0051870
2 16.5840000 0.0780690
3 10.3831000 -0.2633410
4 6.4955000 0.1631730
5 3.4643100 0.4121450
6 0.9862000 -0.9279190
7 0.4578280 -0.3552850
8 0.1321180 2.5901110
9 0.0669670 -1.2877130
S 9
1 26.5042000 0.0266200
2 16.5840000 -0.0510920
3 10.3831000 -0.0133860
4 6.4955000 -0.2493960
5 3.4643100 1.1377230
6 0.9862000 -3.2919740
7 0.4578280 3.0952960
8 0.1321180 0.5233810
9 0.0669670 -2.9817690
S 1
1 0.0290100 1.0000000
P 8
1 15.2724000 -0.0249160
2 9.5703500 0.1349670
3 5.0361800 -0.3145280
4 1.1521500 0.4766040
5 0.5624010 0.4841910
6 0.2742040 0.1844940
7 0.1205050 0.0186390
8 0.0528120 0.0015040
P 8
1 15.2724000 0.0066140
2 9.5703500 -0.0369260
3 5.0361800 0.0887770
4 1.1521500 -0.1514170
5 0.5624010 -0.2041520
6 0.2742040 -0.0401350
7 0.1205050 0.3663260
8 0.0528120 0.5626960
P 8
1 15.2724000 0.0094170
2 9.5703500 -0.0530870
3 5.0361800 0.1282870
4 1.1521500 -0.2170080
5 0.5624010 -0.3251220
6 0.2742040 -0.0046510
7 0.1205050 0.7343430
8 0.0528120 0.3849980
P 8
1 15.2724000 0.0190460
2 9.5703500 -0.1039530
3 5.0361800 0.2510270
4 1.1521500 -0.5289630
5 0.5624010 -0.8006570
6 0.2742040 1.6510980
7 0.1205050 0.1195080
8 0.0528120 -0.9590230
P 1
1 0.0228910 1.0000000
D 7
1 11.9756000 -0.0014780
2 7.4799800 0.0187080
3 4.6738300 -0.0580870
4 1.1750300 0.1823340
5 0.5283500 0.3486640
6 0.2277570 0.3933500
7 0.0941690 0.2772230
D 7
1 11.9756000 0.0012390
2 7.4799800 -0.0202160
3 4.6738300 0.0669450
4 1.1750300 -0.2392560
5 0.5283500 -0.4736770
6 0.2277570 -0.0843030
7 0.0941690 0.6333300
D 7
1 11.9756000 -0.0031330
2 7.4799800 0.0334770
3 4.6738300 -0.1038090
4 1.1750300 0.4716820
5 0.5283500 0.5191890
6 0.2277570 -1.0917460
7 0.0941690 0.0084120
D 1
1 0.0366310 1.0000000
F 1
1 0.5521000 1.0000000
F 1
1 0.1605000 1.0000000
G 1
1 0.3579000 1.0000000
TANTALUM
S 9
1 27.1236000 0.0310530
2 16.9695000 -0.2562460
3 10.6228000 0.7537040
4 6.6449300 -0.6221810
5 3.5948000 -0.4709360
6 1.0504400 0.7957440
7 0.4928350 0.5320760
8 0.1487360 0.0359520
9 0.0722280 -0.0130440
S 9
1 27.1236000 -0.0090380
2 16.9695000 0.0776200
3 10.6228000 -0.2351160
4 6.6449300 0.1985680
5 3.5948000 0.1643530
6 1.0504400 -0.3367730
7 0.4928350 -0.3948460
8 0.1487360 0.2230040
9 0.0722280 0.6886390
S 9
1 27.1236000 -0.0036940
2 16.9695000 0.0741990
3 10.6228000 -0.2667320
4 6.6449300 0.1638740
5 3.5948000 0.4542910
6 1.0504400 -1.0387690
7 0.4928350 -0.2840230
8 0.1487360 2.4631730
9 0.0722280 -1.1724650
S 9
1 27.1236000 0.0199390
2 16.9695000 -0.0119830
3 10.6228000 -0.1263190
4 6.6449300 -0.1072520
5 3.5948000 1.0858150
6 1.0504400 -3.3698120
7 0.4928350 3.2164070
8 0.1487360 0.3284360
9 0.0722280 -2.7861580
S 1
1 0.0309970 1.0000000
P 8
1 15.5273000 -0.0247840
2 9.7259300 0.1412710
3 5.2380300 -0.3273280
4 1.2270200 0.4834390
5 0.6053810 0.4839520
6 0.2963140 0.1812620
7 0.1305110 0.0183560
8 0.0571160 0.0014010
P 8
1 15.5273000 0.0068180
2 9.7259300 -0.0402940
3 5.2380300 0.0966590
4 1.2270200 -0.1633710
5 0.6053810 -0.2142180
6 0.2963140 -0.0232540
7 0.1305110 0.3814550
8 0.0571160 0.5524390
P 8
1 15.5273000 0.0100470
2 9.7259300 -0.0601510
3 5.2380300 0.1452770
4 1.2270200 -0.2448290
5 0.6053810 -0.3637170
6 0.2963140 0.0650640
7 0.1305110 0.7639420
8 0.0571160 0.3237320
P 8
1 15.5273000 0.0206680
2 9.7259300 -0.1177830
3 5.2380300 0.2832870
4 1.2270200 -0.6451770
5 0.6053810 -0.6698480
6 0.2963140 1.6952860
7 0.1305110 -0.0513130
8 0.0571160 -0.8985720
P 1
1 0.0246790 1.0000000
D 7
1 12.1917000 -0.0017560
2 7.6161300 0.0229090
3 4.7595400 -0.0715900
4 1.2759000 0.1997750
5 0.5929460 0.3628730
6 0.2642870 0.3846300
7 0.1124950 0.2504110
D 7
1 12.1917000 0.0014680
2 7.6161300 -0.0248100
3 4.7595400 0.0829610
4 1.2759000 -0.2725710
5 0.5929460 -0.4890720
6 0.2642870 -0.0016350
7 0.1124950 0.6453820
D 7
1 12.1917000 -0.0034800
2 7.6161300 0.0408190
3 4.7595400 -0.1314870
4 1.2759000 0.5878110
5 0.5929460 0.4024980
6 0.2642870 -1.1685840
7 0.1124950 0.1607410
D 1
1 0.0447800 1.0000000
F 1
1 0.6951000 1.0000000
F 1
1 0.2086000 1.0000000
G 1
1 0.4780000 1.0000000
TUNGSTEN
S 9
1 28.3881000 0.0286980
2 17.7568000 -0.2410370
3 11.1120000 0.7152180
4 6.9493400 -0.5713300
5 3.8150600 -0.5072560
6 1.1124900 0.8128760
7 0.5254010 0.5252410
8 0.1615290 0.0346380
9 0.0764090 -0.0129350
S 9
1 28.3881000 -0.0084840
2 17.7568000 0.0745440
3 11.1120000 -0.2285180
4 6.9493400 0.1874400
5 3.8150600 0.1806120
6 1.1124900 -0.3615620
7 0.5254010 -0.3873630
8 0.1615290 0.2480770
9 0.0764090 0.6828620
S 9
1 28.3881000 -0.0018080
2 17.7568000 0.0639220
3 11.1120000 -0.2421830
4 6.9493400 0.1239880
5 3.8150600 0.5003090
6 1.1124900 -1.1225650
7 0.5254010 -0.1993080
8 0.1615290 2.3607790
9 0.0764090 -1.1023500
S 9
1 28.3881000 0.0138380
2 17.7568000 0.0202260
3 11.1120000 -0.2093720
4 6.9493400 -0.0130360
5 3.8150600 1.0461320
6 1.1124900 -3.4415170
7 0.5254010 3.3512290
8 0.1615290 0.1364630
9 0.0764090 -2.6080750
S 1
1 0.0326700 1.0000000
P 8
1 16.5554000 -0.0252630
2 10.3744000 0.1409610
3 5.5219000 -0.3299160
4 1.2890200 0.5017200
5 0.6355960 0.4805660
6 0.3096450 0.1689050
7 0.1370120 0.0157270
8 0.0599380 0.0014690
P 8
1 16.5554000 0.0071290
2 10.3744000 -0.0411130
3 5.5219000 0.0996190
4 1.2890200 -0.1760570
5 0.6355960 -0.2167410
6 0.3096450 -0.0011430
7 0.1370120 0.3928970
8 0.0599380 0.5406250
P 8
1 16.5554000 0.0109680
2 10.3744000 -0.0640750
3 5.5219000 0.1564780
4 1.2890200 -0.2790200
5 0.6355960 -0.3897030
6 0.3096450 0.1566280
7 0.1370120 0.7687580
8 0.0599380 0.2655370
P 8
1 16.5554000 0.0221780
2 10.3744000 -0.1230550
3 5.5219000 0.2995730
4 1.2890200 -0.7580510
5 0.6355960 -0.4980530
6 0.3096450 1.7176990
7 0.1370120 -0.2467290
8 0.0599380 -0.8204790
P 1
1 0.0258750 1.0000000
D 7
1 13.6383000 -0.0026060
2 8.5173400 0.0290880
3 5.3232800 -0.0831780
4 1.3931900 0.2105050
5 0.6543070 0.3794490
6 0.2943900 0.3825380
7 0.1257220 0.2279060
D 7
1 13.6383000 0.0025740
2 8.5173400 -0.0333260
3 5.3232800 0.1006620
4 1.3931900 -0.3117890
5 0.6543070 -0.5101020
6 0.2943900 0.1043210
7 0.1257220 0.6647930
D 7
1 13.6383000 0.0068120
2 8.5173400 -0.0594810
3 5.3232800 0.1659640
4 1.3931900 -0.7073810
5 0.6543070 -0.2548900
6 0.2943900 1.2651180
7 0.1257220 -0.4506990
D 1
1 0.0497170 1.0000000
F 1
1 0.8266000 1.0000000
F 1
1 0.2560000 1.0000000
G 1
1 0.6205000 1.0000000
RHENIUM
S 9
1 30.4120000 0.0229870
2 19.0142000 -0.1976360
3 11.8921000 0.5813760
4 7.4336100 -0.3840040
5 4.1811300 -0.6002800
6 1.1685700 0.8264270
7 0.5539770 0.5102290
8 0.1707810 0.0365510
9 0.0792870 -0.0087660
S 9
1 30.4120000 -0.0072090
2 19.0142000 0.0645740
3 11.8921000 -0.1963520
4 7.4336100 0.1354270
5 4.1811300 0.2175540
6 1.1685700 -0.3902690
7 0.5539770 -0.3723360
8 0.1707810 0.2672200
9 0.0792870 0.6716710
S 9
1 30.4120000 0.0008190
2 19.0142000 0.0437380
3 11.8921000 -0.1772190
4 7.4336100 0.0197240
5 4.1811300 0.5658650
6 1.1685700 -1.1960450
7 0.5539770 -0.0926010
8 0.1707810 2.2639340
9 0.0792870 -1.0605870
S 9
1 30.4120000 -0.0059360
2 19.0142000 -0.0062770
3 11.8921000 0.0754730
4 7.4336100 0.0512310
5 4.1811300 -0.5040200
6 1.1685700 1.6252170
7 0.5539770 -1.6511890
8 0.1707810 0.1479060
9 0.0792870 0.9643860
S 1
1 0.0339090 1.0000000
P 8
1 18.3488000 -0.0168770
2 11.4877000 0.0929150
3 5.4325600 -0.2914010
4 1.3785900 0.4982270
5 0.6887660 0.4796070
6 0.3380830 0.1752920
7 0.1491600 0.0173410
8 0.0643210 0.0013480
P 8
1 18.3488000 0.0046080
2 11.4877000 -0.0268720
3 5.4325600 0.0889710
4 1.3785900 -0.1794810
5 0.6887660 -0.2111050
6 0.3380830 -0.0043780
7 0.1491600 0.3822050
8 0.0643210 0.5438540
P 8
1 18.3488000 0.0073690
2 11.4877000 -0.0437140
3 5.4325600 0.1463200
4 1.3785900 -0.3009630
5 0.6887660 -0.4000020
6 0.3380830 0.1900900
7 0.1491600 0.7604950
8 0.0643210 0.2562560
P 8
1 18.3488000 0.0150340
2 11.4877000 -0.0837840
3 5.4325600 0.2804860
4 1.3785900 -0.8342650
5 0.6887660 -0.4202230
6 0.3380830 1.7104440
7 0.1491600 -0.3011560
8 0.0643210 -0.7920800
P 1
1 0.0273440 1.0000000
D 7
1 13.8248000 -0.0010140
2 8.6358600 0.0200690
3 5.3969500 -0.0709260
4 1.4943200 0.2136340
5 0.7134790 0.3740960
6 0.3249100 0.3691180
7 0.1398360 0.2324990
D 7
1 13.8248000 0.0014410
2 8.6358600 -0.0233020
3 5.3969500 0.0813920
4 1.4943200 -0.2826220
5 0.7134790 -0.4844350
6 0.3249100 0.0772300
7 0.1398360 0.6339580
D 7
1 13.8248000 -0.0008920
2 8.6358600 0.0318260
3 5.3969500 -0.1289560
4 1.4943200 0.6891180
5 0.7134790 0.2530110
6 0.3249100 -1.1068680
7 0.1398360 0.1625610
D 1
1 0.0555530 1.0000000
F 1
1 0.9339000 1.0000000
F 1
1 0.2939000 1.0000000
G 1
1 0.7368000 1.0000000
OSMIUM
S 9
1 32.3055000 0.0197370
2 20.1934000 -0.1722810
3 12.6258000 0.5020590
4 7.8902100 -0.2729310
5 4.4618300 -0.6628560
6 1.2361300 0.8403110
7 0.5888300 0.5041200
8 0.1832610 0.0360460
9 0.0839720 -0.0077430
S 9
1 32.3055000 -0.0065050
2 20.1934000 0.0585150
3 12.6258000 -0.1762530
4 7.8902100 0.1041850
5 4.4618300 0.2405050
6 1.2361300 -0.4093240
7 0.5888300 -0.3607630
8 0.1832610 0.2734870
9 0.0839720 0.6639500
S 9
1 32.3055000 0.0032420
2 20.1934000 0.0321220
3 12.6258000 -0.1472230
4 7.8902100 -0.0521880
5 4.4618300 0.6858550
6 1.2361300 -1.4787110
7 0.5888300 0.1833530
8 0.1832610 2.2357940
9 0.0839720 -1.2321000
S 9
1 32.3055000 0.0069550
2 20.1934000 0.0417920
3 12.6258000 -0.2181670
4 7.8902100 -0.1049580
5 4.4618300 1.2105800
6 1.2361300 -4.1259100
7 0.5888300 4.5902800
8 0.1832610 -1.6062050
9 0.0839720 -0.9747310
S 1
1 0.0358740 1.0000000
P 8
1 19.5631000 -0.0147080
2 12.2451000 0.0813650
3 5.5534200 -0.2865920
4 1.4628400 0.5046710
5 0.7345370 0.4803480
6 0.3605750 0.1720070
7 0.1566910 0.0167790
8 0.0663330 0.0010290
P 8
1 19.5631000 0.0038110
2 12.2451000 -0.0227510
3 5.5534200 0.0856230
4 1.4628400 -0.1797460
5 0.7345370 -0.2015160
6 0.3605750 -0.0014850
7 0.1566910 0.3717870
8 0.0663330 0.5436820
P 8
1 19.5631000 0.0068020
2 12.2451000 -0.0412110
3 5.5534200 0.1569900
4 1.4628400 -0.3433910
5 0.7345370 -0.4303710
6 0.3605750 0.2960230
7 0.1566910 0.7536120
8 0.0663330 0.1966590
P 8
1 19.5631000 0.0137510
2 12.2451000 -0.0773820
3 5.5534200 0.2953390
4 1.4628400 -0.9653980
5 0.7345370 -0.2465530
6 0.3605750 1.7281840
7 0.1566910 -0.5259660
8 0.0663330 -0.6793560
P 1
1 0.0277460 1.0000000
D 7
1 14.6857000 -0.0002690
2 9.1712400 0.0164940
3 5.7299200 -0.0666740
4 1.5875600 0.2245470
5 0.7672690 0.3796600
6 0.3528390 0.3618810
7 0.1530360 0.2216830
D 7
1 14.6857000 0.0012700
2 9.1712400 -0.0225880
3 5.7299200 0.0838610
4 1.5875600 -0.3263310
5 0.7672690 -0.5066390
6 0.3528390 0.1706070
7 0.1530360 0.6360850
D 7
1 14.6857000 0.0026700
2 9.1712400 -0.0374650
3 5.7299200 0.1404650
4 1.5875600 -0.8231180
5 0.7672690 -0.0536040
6 0.3528390 1.1529670
7 0.1530360 -0.4177890
D 1
1 0.0612280 1.0000000
F 1
1 1.0510000 1.0000000
F 1
1 0.3372000 1.0000000
G 1
1 0.8435000 1.0000000
IRIDIUM
S 9
1 34.2048000 0.0173300
2 21.3768000 -0.1532030
3 13.3624000 0.4419330
4 8.3483500 -0.1886920
5 4.7316300 -0.7122250
6 1.3078500 0.8529050
7 0.6243340 0.4997460
8 0.1938710 0.0352490
9 0.0879490 -0.0070780
S 9
1 34.2048000 -0.0060010
2 21.3768000 0.0538850
3 13.3624000 -0.1606020
4 8.3483500 0.0803950
5 4.7316300 0.2575940
6 1.3078500 -0.4237510
7 0.6243340 -0.3483540
8 0.1938710 0.2800310
9 0.0879490 0.6545570
S 9
1 34.2048000 0.0057000
2 21.3768000 0.0186860
3 13.3624000 -0.1098820
4 8.3483500 -0.1262300
5 4.7316300 0.7876390
6 1.3078500 -1.7027670
7 0.6243340 0.4383340
8 0.1938710 2.1004080
9 0.0879490 -1.2318660
S 9
1 34.2048000 -0.0001450
2 21.3768000 0.0001550
3 13.3624000 0.0004580
4 8.3483500 0.0027310
5 4.7316300 -0.0111600
6 1.3078500 0.0322630
7 0.6243340 -0.0309800
8 0.1938710 -0.0019260
9 0.0879490 0.0244470
S 1
1 0.0375390 1.0000000
P 8
1 20.7204000 -0.0132020
2 12.9677000 0.0739520
3 5.7222400 -0.2843120
4 1.5503800 0.5102230
5 0.7826600 0.4795020
6 0.3855150 0.1697720
7 0.1706090 0.0166680
8 0.0728290 0.0012420
P 8
1 20.7204000 0.0035200
2 12.9677000 -0.0215200
3 5.7222400 0.0890920
4 1.5503800 -0.1924180
5 0.7826600 -0.2089670
6 0.3855150 0.0046730
7 0.1706090 0.3828460
8 0.0728290 0.5399630
P 8
1 20.7204000 0.0068620
2 12.9677000 -0.0422290
3 5.7222400 0.1771470
4 1.5503800 -0.4201130
5 0.7826600 -0.4381970
6 0.3855150 0.4034530
7 0.1706090 0.7048150
8 0.0728290 0.1692730
P 8
1 20.7204000 0.0121460
2 12.9677000 -0.0723020
3 5.7222400 0.3121050
4 1.5503800 -1.1249840
5 0.7826600 0.0092840
6 0.3855150 1.6533010
7 0.1706090 -0.6527860
8 0.0728290 -0.6166420
P 1
1 0.0305710 1.0000000
D 7
1 91.4125000 0.0000240
2 9.7301300 0.0152170
3 6.0771200 -0.0657240
4 1.6882000 0.2340050
5 0.8237860 0.3845350
6 0.3820680 0.3558490
7 0.1669650 0.2119760
D 7
1 91.4125000 -0.0000130
2 9.7301300 -0.0183130
3 6.0771200 0.0780220
4 1.6882000 -0.3254460
5 0.8237860 -0.4793950
6 0.3820680 0.1391480
7 0.1669650 0.5831340
D 7
1 91.4125000 -0.0000080
2 9.7301300 0.0306140
3 6.0771200 -0.1301790
4 1.6882000 0.7766970
5 0.8237860 0.1046450
6 0.3820680 -1.0602650
7 0.1669650 0.1697160
D 1
1 0.0672310 1.0000000
F 1
1 1.1759000 1.0000000
F 1
1 0.3847000 1.0000000
G 1
1 0.9577000 1.0000000
PLATINUM
S 9
1 36.0064000 0.0156030
2 22.4991000 -0.1396000
3 14.0609000 0.3994690
4 8.7816100 -0.1277440
5 4.9923800 -0.7514510
6 1.3838500 0.8633270
7 0.6616170 0.4975940
8 0.2048820 0.0347580
9 0.0922300 -0.0065890
S 9
1 36.0064000 -0.0056780
2 22.4991000 0.0507550
3 14.0609000 -0.1500300
4 8.7816100 0.0639820
5 4.9923800 0.2704110
6 1.3838500 -0.4346570
7 0.6616170 -0.3372900
8 0.2048820 0.2814460
9 0.0922300 0.6455790
S 9
1 36.0064000 0.0070370
2 22.4991000 0.0105250
3 14.0609000 -0.0854980
4 8.7816100 -0.1765590
5 4.9923800 0.8567070
6 1.3838500 -1.8442100
7 0.6616170 0.6011560
8 0.2048820 1.9822930
9 0.0922300 -1.1764800
S 9
1 36.0064000 -0.0114450
2 22.4991000 0.1220440
3 14.0609000 -0.3759060
4 8.7816100 0.0553880
5 4.9923800 1.1335870
6 1.3838500 -4.2149190
7 0.6616170 4.8759410
8 0.2048820 -2.1659360
9 0.0922300 -0.4268040
S 1
1 0.0392640 1.0000000
P 8
1 21.5986000 -0.0125150
2 13.5160000 0.0715700
3 5.9203700 -0.2872760
4 1.6412600 0.5154190
5 0.8311310 0.4804610
6 0.4084300 0.1679960
7 0.1754270 0.0158600
8 0.0726850 0.0007950
P 8
1 21.5986000 0.0029600
2 13.5160000 -0.0191100
3 5.9203700 0.0838980
4 1.6412600 -0.1830090
5 0.8311310 -0.1878840
6 0.4084300 -0.0017870
7 0.1754270 0.3606710
8 0.0726850 0.5449210
P 8
1 21.5986000 0.0067690
2 13.5160000 -0.0429400
3 5.9203700 0.1894550
4 1.6412600 -0.4606470
5 0.8311310 -0.4463350
6 0.4084300 0.4896840
7 0.1754270 0.6825880
8 0.0726850 0.1279470
P 8
1 21.5986000 0.0116510
2 13.5160000 -0.0715220
3 5.9203700 0.3259640
4 1.6412600 -1.2148310
5 0.8311310 0.1587270
6 0.4084300 1.5953330
7 0.1754270 -0.7779330
8 0.0726850 -0.5304420
P 1
1 0.0297610 1.0000000
D 7
1 72.7562000 0.0000520
2 10.4742000 0.0126260
3 6.2509000 -0.0632410
4 1.8018500 0.2396470
5 0.8884540 0.3876720
6 0.4156650 0.3517440
7 0.1830800 0.2052900
D 7
1 72.7562000 -0.0000370
2 10.4742000 -0.0157890
3 6.2509000 0.0782970
4 1.8018500 -0.3582960
5 0.8884540 -0.4793250
6 0.4156650 0.1884070
7 0.1830800 0.5781450
D 7
1 72.7562000 -0.0000260
2 10.4742000 0.0271890
3 6.2509000 -0.1307380
4 1.8018500 0.8378570
5 0.8884540 0.0073940
6 0.4156650 -1.0612590
7 0.1830800 0.2490050
D 1
1 0.0742330 1.0000000
F 1
1 1.3040000 1.0000000
F 1
1 0.4337000 1.0000000
G 1
1 1.0772000 1.0000000