%chk=000121271.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121271

0 1
 O  -0.7362000      -2.189400      0.8844000    
 N    3.780400      0.7532000     -0.5236000    
 N   0.4959000     -0.7787000     -0.4842000    
 N   -1.326700       1.041900       1.850600    
 C    2.600700     -0.9901000      0.7834000    
 C    3.011900      0.4818000      0.6851000    
 C    1.743300      -1.484800     -0.3798000    
 C    5.011100     -3.9600000E-02 -0.5411000    
 C    4.094300       2.179500     -0.6259000    
 C  -0.6595000      -1.195600      0.1667000    
 C   -1.873900     -0.3716000     -6.4000003E-02
 C   -2.161200      0.6945000      0.7649000    
 C   -2.688400     -0.7138000      -1.126200    
 C   -3.309000       1.449300      0.5224000    
 C   -3.836200      4.1000001E-02  -1.368400    
 C   -4.146500       1.122400     -0.5441000    
 H    3.473200      -1.642000      0.9010000    
 H    2.026900      -1.108300       1.712600    
 H    3.582300      0.7511000       1.584100    
 H    2.105500       1.100100      0.6952000    
 H    2.264700      -1.374800      -1.335900    
 H    1.534900      -2.552100     -0.2439000    
 H   0.4656000      5.7599999E-02  -1.060400    
 H    5.606100      9.2600003E-02  0.3699000    
 H    5.637700      0.2506000      -1.393200    
 H    4.810700      -1.105400     -0.6859000    
 H    4.712000       2.528100      0.2098000    
 H    3.174900       2.775300     -0.6480000    
 H    4.625600       2.391300      -1.560500    
 H   -2.453400      -1.554700      -1.772200    
 H   -3.562900       2.294700       1.156800    
 H   -4.488300     -0.2135000      -2.198800    
 H   -5.040200       1.710000     -0.7328000    
 H  -0.4840000      0.5172000       2.041200    
 H   -1.566200       1.831400       2.435800    


%chk=000121271-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121271

0 1
O -0.584478 -1.597275 1.909243
N 3.174560 0.517072 -0.859797
N 0.894633 -0.884554 0.277207
N -2.962579 -0.510274 2.085992
C 3.182827 -0.812450 1.321411
C 3.320282 0.563956 0.624968
C 2.016240 -1.688047 0.772835
C 4.236693 -0.280037 -1.516754
C 3.100121 1.883436 -1.432168
C -0.351174 -0.870718 0.864690
C -1.397810 0.010931 0.257622
C -2.676302 0.164552 0.916955
C -1.179555 0.711464 -0.962639
C -3.650516 1.038679 0.333688
C -2.148374 1.558316 -1.528391
C -3.391767 1.721966 -0.861787
H 4.124421 -1.389226 1.241943
H 3.024706 -0.612602 2.398117
H 4.295153 1.026719 0.922010
H 2.520982 1.230238 1.000451
H 2.385747 -2.319020 -0.059266
H 1.628297 -2.356286 1.559225
H 1.164387 -0.255343 -0.489406
H 5.257182 0.148146 -1.356887
H 4.047038 -0.322424 -2.603902
H 4.234049 -1.313137 -1.131210
H 4.032448 2.476356 -1.263505
H 2.257197 2.433741 -0.977217
H 2.926314 1.821697 -2.521205
H -0.235195 0.582451 -1.505025
H -4.616229 1.160070 0.840198
H -1.949729 2.076683 -2.471649
H -4.159368 2.379685 -1.286059
H -2.231914 -1.153658 2.433067
H -3.863190 -0.391909 2.542246


