%chk=000161466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161466

0 1
 O    4.727400      0.6996000      0.8631000    
 O    5.491000      -2.044500     -0.6135000    
 O    6.511500     -4.8300002E-02  -2.164700    
 O    6.530900       2.854600       1.145100    
 O   -6.237600       2.540800     -0.6625000    
 O   -3.709400      -1.668500      0.7331000    
 O   -7.161800      -1.152000      -1.102600    
 O   -5.613300     -2.1400001E-02  -2.316500    
 N    2.574800     -0.1309000      0.3057000    
 N   0.7425000       1.078800     -9.2299998E-02
 N    1.548500      -2.233900      0.9591000    
 N   -2.028500     -9.5299996E-02  0.2526000    
 N  -0.8869000      -2.092600      0.8915000    
 N   -4.261900      0.4717000      5.6100000E-02
 C    4.625200     -0.9432000     -0.8835000    
 C    3.994900     -0.4650000      0.4257000    
 C    5.409000      0.2716000      -1.343500    
 C    5.838200      0.8961000     -2.7200000E-02
 C    6.154900       2.377000     -0.1347000    
 C    1.513000     -0.9551000      0.5555000    
 C    2.059200       1.079600     -7.9800002E-02
 C   0.3878000     -0.1868000      0.3026000    
 C  -0.8472000     -0.8010000      0.4843000    
 C   0.2960000      -2.719600       1.100600    
 C   -5.695300      0.2959000      9.9500000E-02
 C   -6.449400       1.598000      0.3873000    
 C   -3.358000     -0.5445000      0.3827000    
 C   -6.041300       2.235400       1.710100    
 C   -6.114100     -0.2965000      -1.233700    
 H    3.903500      -1.278000      -1.635600    
 H    4.075800      -1.212600       1.223300    
 H    4.738700      0.9459000      -1.890700    
 H    6.700500      0.3706000      0.4033000    
 H    6.980700       2.561300     -0.8275000    
 H    5.283200       2.952800     -0.4623000    
 H    4.938000      -2.774500     -0.2862000    
 H    6.974900      0.7801000      -2.374100    
 H    2.683300       1.922600     -0.3433000    
 H    5.790100       2.683600       1.751600    
 H   0.2264000      -3.752100       1.425600    
 H   -1.909400      0.8689000     -4.8300002E-02
 H   -5.914100     -0.4403000      0.8829000    
 H   -7.525200       1.385600      0.4095000    
 H   -3.894300       1.345700     -0.3075000    
 H   -5.000000       2.574300       1.687200    
 H   -6.169100       1.538000       2.543400    
 H   -6.650600       3.124300       1.907100    
 H   -6.758800       3.334900     -0.4543000    
 H   -7.445100      -1.517800      -1.967600    


%chk=000161466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161466

0 1
O 4.960369 1.365577 0.556039
O 5.769117 -1.308452 1.711484
O 6.251651 -1.749297 -0.866043
O 6.189629 2.893282 -1.601102
O -6.411966 1.992512 1.153040
O -3.363269 -1.180804 -0.797589
O -7.189418 1.476756 -2.155311
O -5.190336 2.659503 -2.070949
N 2.710261 0.575596 0.795290
N 0.839902 1.781991 0.207144
N 1.616153 -1.653813 1.151461
N -1.891182 0.487513 0.061024
N -0.811356 -1.558218 0.742663
N -4.175610 0.903069 -0.123283
C 4.666533 -1.013891 0.801213
C 4.124785 0.363358 1.222630
C 5.218138 -0.742117 -0.622992
C 5.769638 0.702635 -0.525540
C 5.629734 1.555366 -1.787792
C 1.630883 -0.325580 0.838630
C 2.166189 1.821074 0.427058
C 0.493757 0.443649 0.462226
C -0.756502 -0.235761 0.408222
C 0.357556 -2.184803 1.083750
C -5.523422 0.665926 -0.612869
C -6.560872 0.650432 0.541156
C -3.167297 -0.035078 -0.316770
C -6.306582 -0.473657 1.553455
C -5.899918 1.720590 -1.664161
H 3.895964 -1.803525 0.827931
H 4.215306 0.511580 2.311525
H 4.402253 -0.812209 -1.371551
H 6.818403 0.683541 -0.176089
H 6.214570 1.114083 -2.615504
H 4.560338 1.602016 -2.088332
H 6.389906 -1.917483 1.229641
H 6.550562 -1.733516 -1.807019
H 2.793225 2.702596 0.332961
H 5.779459 3.285260 -0.787671
H 0.268699 -3.244943 1.337417
H -1.732228 1.494216 -0.057669
H -5.526527 -0.326901 -1.101280
H -7.568899 0.553061 0.092364
H -4.022678 1.766038 0.401894
H -5.302323 -0.379930 2.000705
H -6.373714 -1.462704 1.065814
H -7.057813 -0.444988 2.365252
H -7.004814 2.065451 1.941491
H -7.417652 2.164302 -2.837368


