%chk=000121619.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121619

0 1
 O   -4.906200      -1.138500     -9.6000005E-03
 O   -5.058900       1.402100      -1.125500    
 N    2.903300     -0.6998000     -4.0300000E-02
 N   5.4499999E-02  -3.074100     -0.3225000    
 C   -1.662300      0.2393000      0.9601000    
 C  -0.4405000     -0.1745000       1.708300    
 C   -2.728500     -0.6492000      0.8201000    
 C   -1.738900       1.514400      0.3997000    
 C   -3.871300     -0.2625000      0.1197000    
 C   0.6209000     -0.8286000      0.8383000    
 C   -3.947700       1.012700     -0.4405000    
 C   -2.881400       1.901000     -0.3005000    
 C    1.835400     -0.2728000      0.6849000    
 C    4.160400     -9.3900003E-02 -0.1843000    
 C    5.143500     -0.6900000     -0.9809000    
 C    4.440900       1.111200      0.4680000    
 C   0.3113000      -2.068300      0.1962000    
 C    6.393500     -8.7700002E-02  -1.123500    
 C    5.691000       1.713400      0.3253000    
 C    6.667200       1.113900     -0.4704000    
 C   -4.889900      -1.997900      -1.147900    
 C   -6.096300       2.029800     -0.3746000    
 H  -0.7168000     -0.8733000       2.510300    
 H  -3.0500000E-02  0.6971000       2.236700    
 H   -2.678000      -1.643700       1.256900    
 H  -0.9144000       2.215400      0.5001000    
 H   -2.933700       2.895600     -0.7353000    
 H    1.997900      0.6612000       1.208200    
 H    2.779600      -1.570700     -0.5458000    
 H    4.944800      -1.626700      -1.496000    
 H    3.727200       1.627600       1.099800    
 H    7.153800     -0.5544000      -1.743000    
 H    5.905200       2.649200      0.8333000    
 H    7.640600       1.582800     -0.5814000    
 H   -4.002100      -2.638200      -1.132000    
 H   -4.915100      -1.412900      -2.072700    
 H   -5.779600      -2.632400      -1.111000    
 H   -5.732700       2.956100      8.1500001E-02
 H   -6.475900       1.353900      0.3982000    
 H   -6.914200       2.273900      -1.058000    


%chk=000121619-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121619

0 1
O -5.291725 -0.783294 0.645316
O -5.053369 1.272006 -1.434283
N 3.114432 -0.557063 -0.052200
N 0.593176 -2.999132 -0.939043
C -1.627449 -0.068975 0.722174
C -0.397212 -0.511605 1.518634
C -2.900757 -0.611576 1.012481
C -1.519371 0.897800 -0.309994
C -4.048959 -0.197561 0.304207
C 0.795806 -0.918091 0.659235
C -3.938471 0.813016 -0.693253
C -2.665333 1.338340 -1.003751
C 1.998996 -0.234726 0.696631
C 4.371060 0.098722 -0.055389
C 5.379635 -0.400931 -0.924447
C 4.658721 1.222342 0.766206
C 0.667378 -2.048622 -0.208557
C 6.647755 0.210493 -0.970729
C 5.932797 1.825648 0.709054
C 6.936043 1.329790 -0.154991
C -5.917717 -1.567905 -0.446120
C -6.105121 1.932545 -0.626141
H -0.684124 -1.350967 2.180874
H -0.070003 0.312281 2.184766
H -3.024648 -1.383623 1.780432
H -0.536211 1.306359 -0.570311
H -2.600394 2.096364 -1.791126
H 2.096168 0.627329 1.361352
H 3.026181 -1.365182 -0.677715
H 5.166208 -1.267850 -1.562438
H 3.908659 1.632701 1.449168
H 7.411857 -0.188842 -1.646497
H 6.140915 2.691136 1.348002
H 7.921402 1.804919 -0.191688
H -5.276104 -2.430380 -0.707482
H -6.082377 -0.940348 -1.340491
H -6.876731 -1.922444 -0.038803
H -5.706763 2.859033 -0.170495
H -6.480605 1.258758 0.164899
H -6.907644 2.180037 -1.337584


