%chk=000041190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041190

0 1
 P   0.9295000     -0.2022000      2.2700001E-02
 O  -0.4491000     -0.9628000     -0.4011000    
 O   0.9922000      2.9000000E-03   1.517000    
 O   -3.822800     -0.1601000      0.2597000    
 O   -2.928300      -1.926000     -0.9061000    
 N    2.159300      -1.118600     -0.6135000    
 N   0.9161000       1.200200     -0.8649000    
 N   -1.599700     -0.3092000      6.4499997E-02
 C    3.376400      -1.306200      0.1630000    
 C   0.8821000       2.478700     -0.1684000    
 C    2.384900      -2.420600     -2.0000001E-03
 C    2.134200       1.998000     -0.8418000    
 C    4.646000      -1.381400     -0.6084000    
 C    3.501600     -0.6716000       1.502800    
 C   0.1102000       3.567600     -0.8250000    
 C   0.8523000       2.507200       1.318700    
 C   -2.792800     -0.8945000     -0.2559000    
 C   -5.138400     -0.6632000      1.3000000E-03
 C   -6.153800      0.2619000      0.6376000    
 H    2.609000      -3.225000     -0.6903000    
 H    1.745000      -2.695700      0.8261000    
 H    2.418500       2.435700      -1.790500    
 H    2.965000       1.669300     -0.2377000    
 H    5.081000     -0.3836000     -0.7329000    
 H    4.504900      -1.805400      -1.609500    
 H    5.378000      -2.008300     -8.7700002E-02
 H    2.838400      -1.106900       2.256900    
 H    3.409200      0.4154000       1.476000    
 H    4.507900     -0.8632000       1.899300    
 H   0.1123000       3.483900      -1.918100    
 H  -0.9349000       3.551000     -0.4965000    
 H   0.5304000       4.546800     -0.5708000    
 H    1.749600       2.101200       1.794300    
 H   0.8396000       3.554200       1.651600    
 H  -6.6000000E-02   2.072500       1.725900    
 H   -1.483900      0.5424000      0.6005000    
 H   -5.305700     -0.7084000      -1.080600    
 H   -5.235000      -1.668000      0.4272000    
 H   -7.172500     -9.3500003E-02  0.4592000    
 H   -5.987700      0.3319000       1.717700    
 H   -6.057200       1.275500      0.2349000    


%chk=000041190-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041190

0 1
P 1.052153 -0.356356 0.510071
O -0.405448 -1.103278 -0.296031
O 0.894838 -0.297605 2.108600
O -3.826200 -0.413789 0.447493
O -2.461851 0.737745 -1.105205
N 2.186631 -1.508410 -0.189318
N 1.362455 1.113269 -0.421129
N -1.630300 -0.889068 0.401829
C 3.689178 -1.506423 0.096283
C 0.624239 2.442460 -0.201461
C 2.788047 -2.582979 0.690918
C 2.076000 2.294544 0.225856
C 4.521110 -1.822487 -1.138459
C 4.281473 -0.465227 1.043268
C 0.273566 3.117079 -1.519516
C -0.422573 2.581756 0.902176
C -2.609310 -0.110774 -0.194618
C -4.982134 0.435790 0.038921
C -6.197947 -0.092131 0.793580
H 2.762617 -3.586035 0.252381
H 2.580668 -2.528331 1.768522
H 2.883207 2.710123 -0.387676
H 2.271171 2.246958 1.305883
H 4.694284 -0.907148 -1.732495
H 4.002004 -2.551385 -1.782101
H 5.502842 -2.238981 -0.844660
H 3.626439 -0.285069 1.914963
H 4.445972 0.493462 0.517851
H 5.261179 -0.815767 1.416849
H 1.079051 2.982587 -2.260592
H -0.650462 2.666817 -1.922771
H 0.104968 4.199516 -1.364709
H -0.175966 1.969956 1.787955
H -0.480183 3.641954 1.212480
H -1.413718 2.282813 0.523286
H -1.878705 -1.619188 1.073343
H -4.753274 1.486907 0.295033
H -5.099336 0.363887 -1.057159
H -7.089339 0.505104 0.528117
H -6.395436 -1.145934 0.533058
H -6.046110 -0.024460 1.884386


