%chk=000068127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068127

0 1
 O    2.084000      -1.996900       1.003800    
 O    4.441300     -0.9270000     -8.6000003E-03
 N   -1.493000      0.9617000      -1.065300    
 N   -2.277900      -1.704900      -1.747500    
 N   -4.762100     -0.8734000      0.8438000    
 C  -0.1549000       2.309600      0.4861000    
 C   -1.052300       2.303200     -0.7594000    
 C    1.057700       1.451300      0.3561000    
 C    1.009400      0.1122000      0.7437000    
 C    2.240700       1.988000     -0.1521000    
 C   -2.567800      0.3460000     -0.4455000    
 C    2.143800     -0.6902000      0.6230000    
 C    3.326700     -0.1535000      0.1147000    
 C    3.375200       1.185600     -0.2728000    
 C   -2.964200     -0.9616000     -0.7701000    
 C   -3.298400       1.026800      0.5411000    
 C   -4.048200      -1.515300     -0.1082000    
 C   -4.367500      0.3843000       1.144300    
 C    1.698400      -2.944400      9.8999999E-03
 C    5.609100     -0.3015000     -0.5370000    
 H   0.1518000       3.343900      0.6900000    
 H  -0.7201000       2.002500       1.374700    
 H   -1.884900       3.008200     -0.6596000    
 H  -0.4671000       2.663900      -1.615000    
 H  -0.9642000      0.4413000      -1.753800    
 H   9.3999997E-02 -0.3126000       1.148300    
 H    2.289700       3.029500     -0.4592000    
 H    4.258000       1.669600     -0.6760000    
 H   -3.070200       2.037100      0.8599000    
 H   -4.390100      -2.522800     -0.3256000    
 H   -4.953900      0.8806000       1.910600    
 H   -2.580900      -2.645600      -1.964200    
 H   -1.484800      -1.318900      -2.238300    
 H    2.406400      -2.937400     -0.8248000    
 H   0.6879000      -2.729800     -0.3524000    
 H    1.703100      -3.938900      0.4644000    
 H    5.966300      0.5029000      0.1150000    
 H    5.455500      3.4299999E-02  -1.568200    
 H    6.397100      -1.061400     -0.5646000    


%chk=000068127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068127

0 1
O 2.006697 -2.045976 0.971475
O 4.437357 -1.032470 -0.112909
N -1.676162 1.024344 -1.093207
N -2.465016 -1.542117 -1.792784
N -4.969580 -0.820430 0.909048
C -0.212511 2.352924 0.521649
C -1.111582 2.337147 -0.759052
C 1.029304 1.490079 0.366393
C 1.001052 0.111002 0.696555
C 2.227642 2.022250 -0.167182
C -2.772104 0.469965 -0.418919
C 2.126273 -0.721590 0.517590
C 3.334265 -0.164165 -0.007020
C 3.366697 1.206955 -0.354269
C -3.182615 -0.859977 -0.781468
C -3.526513 1.133291 0.583589
C -4.260685 -1.445333 -0.080067
C -4.602904 0.459872 1.204641
C 2.396584 -3.132297 0.049947
C 5.710200 -0.454976 -0.550402
H 0.073651 3.404656 0.717396
H -0.814657 2.010741 1.383478
H -1.940505 3.058636 -0.640029
H -0.508462 2.677581 -1.621353
H -1.006591 0.333970 -1.450154
H 0.102529 -0.348193 1.123360
H 2.281915 3.085794 -0.429320
H 4.283903 1.652562 -0.751342
H -3.275596 2.149810 0.901074
H -4.577623 -2.467817 -0.327988
H -5.192389 0.961679 1.980501
H -2.702255 -2.521645 -1.948473
H -2.227369 -1.016758 -2.637160
H 3.468781 -3.076848 -0.198885
H 1.788217 -3.088099 -0.874748
H 2.171885 -4.059735 0.598444
H 6.040647 0.349823 0.134237
H 5.642824 -0.060633 -1.583264
H 6.428301 -1.287622 -0.518184


