%chk=000004570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000004570

0 1
P -3.404132 0.668062 1.019960
P -3.900706 -0.823552 -1.669419
O -2.906238 -0.666538 1.807371
O -4.170481 0.090392 -0.321320
O -2.000675 1.200950 0.360626
O -4.240955 1.585415 1.774340
O 1.506748 3.024298 -1.178755
O 0.122876 2.434416 0.363314
O -3.732040 0.262634 -2.862992
O -5.467043 -1.246170 -1.881431
O 5.168359 -1.847464 -2.016385
O 5.085274 0.223983 -2.639037
O -2.839920 -1.812370 -1.522755
N 0.205847 0.019713 1.381972
N 1.082404 2.204380 -0.386556
N 4.668244 -0.733741 -2.008724
C -0.529047 -1.065020 2.067451
C 1.216097 -0.179081 0.491647
C -1.803832 -1.461953 1.305983
C 1.716462 0.904103 -0.318479
C 1.867162 -1.459181 0.376022
C 2.855098 0.705074 -1.130188
C 3.478868 -0.533080 -1.175376
C 2.963751 -1.631281 -0.422877
H -0.803956 -0.700972 3.091317
H 0.119425 -1.959809 2.218822
H -2.130203 -2.490128 1.574763
H -1.683837 -1.407393 0.201413
H -0.273503 0.952089 1.404254
H 1.470654 -2.300502 0.946865
H 3.242275 1.545813 -1.735973
H 3.468846 -2.603765 -0.505624
H -1.870733 2.176898 0.159432
H -4.549908 0.760295 -3.153134
H -6.072582 -1.193916 -1.090228


%chk=000004570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004570

0 1
P -3.785895 0.363110 1.344474
P -2.800528 -0.073386 -1.660497
O -3.032355 -0.859803 2.270564
O -3.836926 -0.252904 -0.293172
O -2.496481 1.499066 1.283278
O -5.191691 0.798448 1.889760
O 0.031895 2.025144 -2.201058
O -0.255457 2.339333 0.037669
O -2.642986 1.608218 -1.755474
O -3.865035 -0.400473 -2.943456
O 4.679098 -2.230345 -2.318610
O 4.063584 -0.404350 -3.549599
O -1.466395 -0.928859 -1.541904
N 0.071142 0.104319 1.461132
N 0.313624 1.713969 -0.957049
N 3.958137 -1.174167 -2.517536
C -0.510100 -0.848331 2.418387
C 1.022149 -0.186188 0.520171
C -1.779785 -1.567336 1.888190
C 1.196541 0.615579 -0.683349
C 1.878630 -1.338435 0.630668
C 2.132602 0.279696 -1.684750
C 2.953142 -0.833704 -1.496169
C 2.827770 -1.650896 -0.336399
H -0.780327 -0.304063 3.339968
H 0.232338 -1.612838 2.699434
H -1.897594 -2.538710 2.395456
H -1.725046 -1.722303 0.793333
H -0.441669 0.994864 1.353168
H 1.802139 -1.976431 1.513736
H 2.208547 0.883341 -2.592820
H 3.488359 -2.515040 -0.226402
H -2.539785 2.219592 0.596735
H -1.767578 1.952743 -2.140563
H -4.185462 -1.336261 -3.011019


