%chk=000001713.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001713

0 1
 O    4.905200      0.6631000       1.712200    
 O    5.779400       1.201100     -0.4682000    
 O   -3.121700       3.207100     -0.1624000    
 N  -7.8199998E-02 -0.8678000     -0.1417000    
 N   -1.592700      -2.651600      9.9399999E-02
 N   -3.961000      -2.240400      0.2676000    
 C    2.304900     -0.9663000     -0.2906000    
 C    1.037200      -1.756500     -0.1751000    
 C    4.127800      0.1734000      0.7083000    
 C    2.964400     -0.5517000      0.8654000    
 C   -2.451200     -0.3935000      2.1299999E-02
 C   -1.413700      -1.321200     -3.1999999E-03
 C    4.626900      0.4807000     -0.5368000    
 C    2.809900     -0.6554000      -1.562100    
 C    3.990200      8.0100000E-02  -1.693400    
 C   -3.746700     -0.9173000      0.1626000    
 C   -2.239000      0.9918000     -8.7499999E-02
 C    5.950100       1.312600      0.9595000    
 C   -3.320900       1.865900     -5.5900000E-02
 C   -4.811100     -1.9600000E-02  0.1909000    
 C   -4.608300       1.359300      8.3400004E-02
 C   -2.872600      -3.035600      0.2304000    
 C   -4.278800       4.041700     -0.1240000    
 H   0.9571000      -2.452200      -1.020100    
 H    1.073000      -2.373100      0.7323000    
 H    2.582600     -0.7844000       1.853500    
 H   3.0800000E-02 -4.6999999E-03 -0.6640000    
 H    2.287300     -0.9815000      -2.458000    
 H    4.386300      0.3250000      -2.672300    
 H   -1.247600       1.424400     -0.1848000    
 H    6.911400      0.8634000       1.234100    
 H    5.968200       2.374900       1.228900    
 H   -5.828300     -0.3917000      0.2992000    
 H   -5.499900       1.976300      0.1160000    
 H   -3.052000      -4.100400      0.3154000    
 H   -4.945200       3.844300     -0.9706000    
 H   -3.934600       5.076400     -0.2221000    
 H   -4.796900       3.966400      0.8380000    


%chk=000001713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001713

0 1
O 4.155250 0.500029 1.957212
O 5.936126 0.719416 0.365276
O -3.676835 3.173790 -0.792928
N -0.176691 -0.654236 -1.108238
N -1.121432 -2.296004 0.277598
N -3.237422 -1.985511 1.458068
C 2.310588 -0.898189 -1.018396
C 0.978710 -1.504032 -1.447389
C 3.743667 0.012715 0.689510
C 2.495352 -0.497912 0.340235
C -2.329073 -0.171962 0.006651
C -1.197453 -1.056552 -0.273934
C 4.794575 0.141136 -0.247218
C 3.365862 -0.759636 -1.952068
C 4.636336 -0.234589 -1.581190
C -3.331699 -0.706976 0.898673
C -2.489811 1.131838 -0.534388
C 5.610819 0.765766 1.816210
C -3.617084 1.902590 -0.202076
C -4.462692 0.099865 1.218044
C -4.612823 1.383172 0.683352
C -2.147207 -2.689159 1.110554
C -4.833403 4.020028 -0.484364
H 0.991748 -1.696835 -2.537884
H 0.793990 -2.465594 -0.935415
H 1.689777 -0.596751 1.072980
H -0.192433 0.293524 -1.483098
H 3.206014 -1.070297 -2.990979
H 5.448406 -0.126409 -2.304353
H -1.763875 1.582940 -1.219628
H 6.174991 -0.030721 2.337370
H 5.830801 1.773452 2.200604
H -5.208918 -0.324565 1.896395
H -5.492385 1.978014 0.946319
H -2.046479 -3.694428 1.532701
H -5.778726 3.547416 -0.814118
H -4.666381 4.947187 -1.051621
H -4.887892 4.250479 0.597132


