%chk=000027501.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027501

0 1
 O    1.219300       3.309000     -0.2567000    
 N   -2.837800     -0.6904000      0.2088000    
 N   0.1732000       1.477900      0.4045000    
 N    2.074400       2.164000     -0.4915000    
 N  -0.8917000       3.649500      0.6261000    
 C   -1.784400      0.2080000     -0.2622000    
 C  -0.8772000      0.6130000      0.8925000    
 C   -2.256100      -1.900400      0.7886000    
 C   -3.744700      -1.033200     -0.8861000    
 C    1.406300       1.113800     -6.5700002E-02
 C   -3.334100      -2.818600       1.338900    
 C   -4.358900      0.2130000      -1.500900    
 C   5.3100001E-02   2.837400      0.3067000    
 C    1.980500     -0.2380000     -0.1265000    
 C    2.722700     -0.7335000      0.9482000    
 C    1.785800      -1.032600      -1.258600    
 C    3.267500      -2.016300      0.8908000    
 C    2.330400      -2.315400      -1.315800    
 C    3.071400      -2.807200     -0.2411000    
 H   -2.202900       1.137200     -0.6632000    
 H   -1.201000     -0.2547000      -1.068700    
 H  -0.3856000     -0.2327000       1.376900    
 H   -1.456100       1.122700       1.673200    
 H   -1.632600      -2.445100      6.8599999E-02
 H   -1.636400      -1.672600       1.658800    
 H   -3.243200      -1.619600      -1.666400    
 H   -4.587400      -1.626500     -0.5165000    
 H   -4.048500      -2.276000       1.967700    
 H   -3.881100      -3.342300      0.5489000    
 H   -2.873800      -3.593100       1.963100    
 H   -4.741000      0.8995000     -0.7375000    
 H   -3.659200      0.7500000      -2.148800    
 H   -5.207300     -7.2600000E-02  -2.133600    
 H    2.881000     -0.1260000       1.835600    
 H    1.211200     -0.6595000      -2.102500    
 H    3.844000      -2.399400       1.727700    
 H    2.177600      -2.931500      -2.197100    
 H  -0.6017000       4.605400      0.3925000    
 H    3.495300      -3.806100     -0.2857000    


%chk=000027501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027501

0 1
O 1.262761 3.249165 -0.380694
N -2.889718 -0.874820 -0.299440
N 0.213421 1.294556 0.053471
N 2.302729 2.179874 -0.242115
N -1.194257 3.227742 -0.231982
C -1.771026 -0.024214 -0.757012
C -0.888133 0.393498 0.445039
C -2.593847 -2.329026 -0.361304
C -4.208386 -0.485606 -0.866234
C 1.592655 1.066954 0.013793
C -3.406460 -3.159262 0.651153
C -4.747996 0.821875 -0.254742
C -0.031357 2.659848 -0.196816
C 2.269271 -0.227880 0.228109
C 3.504461 -0.243767 0.930143
C 1.746847 -1.442395 -0.291666
C 4.197216 -1.457295 1.119068
C 2.441983 -2.654416 -0.094853
C 3.666142 -2.666956 0.613030
H -2.164089 0.900390 -1.213122
H -1.148339 -0.529523 -1.533819
H -0.464139 -0.485674 0.957440
H -1.531278 0.938570 1.157320
H -2.749206 -2.735864 -1.393373
H -1.517945 -2.459690 -0.132794
H -4.159782 -0.390616 -1.980275
H -4.923146 -1.300688 -0.651943
H -3.227925 -2.787726 1.675173
H -4.492033 -3.103951 0.453744
H -3.112912 -4.224537 0.601349
H -4.895515 0.699686 0.832624
H -4.050683 1.665415 -0.408010
H -5.716334 1.092564 -0.716034
H 3.906365 0.697120 1.318818
H 0.823096 -1.437814 -0.879898
H 5.147639 -1.460368 1.663147
H 2.034890 -3.585312 -0.503976
H -1.177529 4.246631 -0.394654
H 4.203557 -3.609391 0.764332


