%chk=000122763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122763

1 1
 P    3.429500     -0.6583000     -0.7722000    
 P    2.750200      0.5214000       1.836300    
 O   1.9800000E-02  -1.784300     -0.3831000    
 O    2.499800      -1.575500      -1.727800    
 O    2.437900       1.967300       1.181400    
 O    2.571700     -0.4897000      0.5877000    
 O   -3.130500      -1.842800       2.240100    
 O    4.639500      -1.636100     -0.3283000    
 O    3.873900      0.6383000      -1.384400    
 O    1.445400      0.2147000       2.741900    
 O    4.062600      0.4016000       2.554300    
 N  -0.1675000       3.756700     -0.7292000    
 N   -2.208800      -1.339000      0.1851000    
 N   -4.181100     -0.2327000       1.033600    
 N   -5.253900       1.414900     -0.2084000    
 C   0.5018000      -2.803900      -1.274300    
 C  -0.1256000      -4.103200     -0.8009000    
 C   -1.479000      -3.628200     -0.3328000    
 C   -1.141000      -2.288300      0.2960000    
 C    2.017700      -2.823600      -1.260900    
 C    1.132500       3.565200     -3.7999999E-02
 C  -0.3006000       5.194000      -1.250500    
 C   -1.337300       3.484900      0.2263000    
 C  -0.2949000       2.801800      -1.923800    
 C    1.214700       2.146100      0.4891000    
 C   -2.296800     -0.5631000     -0.9620000    
 C   -3.177000      -1.169600       1.209000    
 C   -3.255200      0.3421000      -1.150100    
 C   -4.247800      0.4895000     -5.4000001E-02
 H   0.1394000      -2.540600      -2.275800    
 H  -0.1794000      -4.861100      -1.587300    
 H   0.4295000      -4.523500      4.6399999E-02
 H   -1.962100      -4.314100      0.3693000    
 H   -2.147300      -3.513300      -1.195300    
 H  -0.8683000      -2.421400       1.349600    
 H    2.401400      -3.606000      -1.922900    
 H    2.391000      -3.017700     -0.2495000    
 H    1.945900       3.772000     -0.7441000    
 H    1.210500       4.293000      0.7790000    
 H  -0.2413000       5.872400     -0.3945000    
 H   0.5221000       5.379800      -1.947100    
 H   -1.264400       5.297500      -1.757600    
 H   -1.169100       4.048200       1.148800    
 H   -2.257500       3.825800     -0.2593000    
 H   -1.423400       2.413600      0.4201000    
 H   0.5977000       2.908500      -2.547000    
 H  -0.4121000       1.775500      -1.572500    
 H   -1.187100       3.085700      -2.491200    
 H    1.180700       1.407300     -0.3131000    
 H   0.4156000       1.937700       1.200600    
 H   -1.561600     -0.7205000      -1.742200    
 H   -3.332400      0.9445000      -2.045300    
 H    5.401200      -1.256100      0.1590000    
 H   -5.952900       1.549500      0.5141000    
 H   -5.331400       1.991400      -1.039800    
 H   0.5646000      0.1381000       2.317800    


%chk=000122763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122763

1 1
P 2.984226 -0.089498 -1.466715
P 2.912837 -0.162540 1.840525
O 0.013353 -1.543793 0.064203
O 2.045835 -1.348273 -2.141805
O 2.456917 1.504226 1.756486
O 3.174960 -0.589312 0.148114
O -1.739179 0.805259 0.741165
O 4.478617 -0.427511 -2.204283
O 2.398088 1.372329 -1.672775
O 1.507365 -1.053665 2.092113
O 4.161686 -0.410932 2.752531
N 0.143774 3.905270 -0.016142
N -2.390869 -1.275260 -0.130341
N -3.510651 0.786266 -0.785785
N -5.268616 0.738713 -2.303491
C 0.234239 -2.564495 -1.016706
C -0.341027 -3.880558 -0.423713
C -1.276355 -3.419556 0.747821
C -1.310223 -1.876961 0.676849
C 1.708573 -2.593090 -1.402577
C 1.360467 3.266776 0.683945
C 0.580005 5.286668 -0.497698
C -1.034367 4.043144 0.950270
C -0.289347 3.067113 -1.226968
C 1.097720 1.886332 1.299066
C -3.193225 -1.993091 -1.003622
C -2.537365 0.178056 -0.028785
C -4.165826 -1.375264 -1.758054
C -4.309505 0.058974 -1.607602
H -0.349509 -2.222193 -1.891970
H -0.881375 -4.450884 -1.197656
H 0.462902 -4.528588 -0.034795
H -0.824157 -3.689984 1.715377
H -2.273439 -3.886780 0.724357
H -1.304182 -1.367140 1.651134
H 1.886593 -3.407519 -2.124764
H 2.367492 -2.724640 -0.525835
H 2.148548 3.157801 -0.078601
H 1.689357 3.971442 1.466736
H 0.903571 5.887149 0.366419
H 1.413911 5.169607 -1.206494
H -0.269184 5.777341 -0.996884
H -0.689570 4.553878 1.863265
H -1.818875 4.640484 0.459616
H -1.430088 3.039489 1.174210
H 0.607068 2.748070 -1.781246
H -0.840343 2.190337 -0.859138
H -0.951922 3.685443 -1.851963
H 0.695571 1.176289 0.558114
H 0.426444 1.909106 2.172339
H -3.034884 -3.071668 -1.060928
H -4.799212 -1.957266 -2.429534
H 5.186352 0.260269 -2.103535
H -5.357804 1.743454 -2.153156
H -5.912583 0.268761 -2.936124
H 0.966509 -1.301186 1.235330


