47 
# 1NiP1 (B3LYP) 
P  -0.2971050  0.0048570 -0.0008470
C  -0.7867190 -1.3095250 -1.3060180
C  -1.1803330  1.6503540 -0.4331430
C   0.0661340 -1.0630950 -2.5651420
C  -0.3715470 -2.6979230 -0.7943470
C  -2.2688860 -1.3489750 -1.6956230
C  -0.9254660 -0.5858170  1.7132990
Ni  1.8542710  0.3959050  0.0278310
C  -2.6717250  1.7432470 -0.0946880
C  -0.4091020  2.7663680  0.3000740
C  -1.0018740  1.9490080 -1.9302690
H  -0.1928340 -0.1491320 -3.0870590
H   1.1242560 -1.0177440 -2.3112970
H  -0.0889550 -1.8934600 -3.2585300
H  -0.9973540 -3.0531070  0.0190180
H   0.6678720 -2.7065900 -0.4688390
H  -0.4706770 -3.4111080 -1.6156130
H  -2.5941100 -0.4300910 -2.1765610
H  -2.4267360 -2.1603630 -2.4112200
H  -2.9191300 -1.5325480 -0.8444130
C  -0.8560630  0.5906910  2.6997800
C   0.0825160 -1.6220560  2.2477160
C  -2.3369450 -1.1819570  1.7541880
C   3.8200820  0.5718630  0.0399290
C   3.4240590 -0.7684850 -0.0258530
H  -2.8625120  1.6597220  0.9716210
H  -3.0512730  2.7170730 -0.4159850
H  -3.2565040  0.9801960 -0.6029480
H  -0.4955080  2.7155890  1.3790420
H  -0.7983840  3.7364160 -0.0195900
H   0.6536640  2.7360780  0.0462190
H   0.0421110  1.8738020 -2.2317410
H  -1.5963450  1.2990630 -2.5654380
H  -1.3294020  2.9743120 -2.1172320
H  -1.6057870  1.3527840  2.5090920
H  -1.0322430  0.2063000  3.7068180
H   0.1292860  1.0559040  2.6913200
H   1.0930150 -1.2157560  2.2368000
H   0.0880500 -2.5481200  1.6848260
H  -0.1821090 -1.8644570  3.2800380
H  -2.4111060 -2.1042440  1.1837460
H  -2.5915420 -1.4231240  2.7897460
H  -3.0919070 -0.4931580  1.3835290
H   4.1652540  1.0880850 -0.8505430
H   4.1602830  0.9997360  0.9779220
H   3.4548180 -1.3119860 -0.9651460
H   3.4480100 -1.4004480  0.8564330
