%chk=000115602.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115602

0 1
 O   -2.585400      -1.425600      7.8999996E-03
 N    2.138300      3.4000000E-03  0.7723000    
 N  -0.6475000     -0.1688000      0.2676000    
 C    1.659500      -1.092100     -8.8299997E-02
 C    1.473000       1.175300      0.1786000    
 C    1.733900     -0.5335000      -1.514100    
 C    1.611700      0.9799000      -1.335900    
 C   0.2024000      -1.367500      0.3224000    
 C  -4.9000001E-03   1.114000      0.6087000    
 C    3.593900      0.1215000      0.7831000    
 C   -2.025600     -0.3311000      0.1076000    
 C   -2.847200      0.9327000      5.0000001E-02
 C   -4.302200      0.5915000     -0.1599000    
 H    2.243300      -2.012400      2.4100000E-02
 H    1.902800       2.126700      0.5115000    
 H   0.9484000     -0.9298000      -2.166000    
 H    2.699700     -0.7720000      -1.974800    
 H    2.519500       1.468200      -1.709100    
 H   0.7627000       1.386600      -1.895300    
 H  -0.2300000      -2.147900     -0.3144000    
 H   0.1620000      -1.735300       1.355700    
 H  -8.9000002E-02   1.226000       1.697000    
 H  -0.5495000       1.946400      0.1551000    
 H    4.035700      0.2735000     -0.2070000    
 H    4.039600     -0.7803000       1.217100    
 H    3.896900      0.9593000       1.420600    
 H   -2.729700       1.487100      0.9866000    
 H   -2.499600       1.552000     -0.7832000    
 H   -4.901000       1.506800     -0.2083000    
 H   -4.694600     -1.9900000E-02  0.6600000    
 H   -4.456500      4.2900000E-02  -1.095500    


%chk=000115602-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115602

0 1
O -2.420817 -1.461626 -0.315349
N 2.229230 0.007251 0.785449
N -0.621755 -0.191910 0.429698
C 1.640914 -1.111442 -0.026777
C 1.447798 1.170582 0.254162
C 1.559902 -0.562318 -1.495734
C 1.427085 0.985942 -1.305906
C 0.232594 -1.400056 0.540078
C 0.018824 1.074802 0.848260
C 3.696076 0.151603 0.638429
C -1.946434 -0.328403 0.017598
C -2.811585 0.945592 -0.016636
C -4.271875 0.635989 -0.393184
H 2.262113 -2.018903 0.068419
H 1.908545 2.120150 0.578543
H 0.696978 -0.988102 -2.035202
H 2.472655 -0.820760 -2.061363
H 2.270359 1.525564 -1.772110
H 0.494511 1.376327 -1.749972
H -0.275332 -2.211342 -0.006646
H 0.332111 -1.694254 1.603625
H 0.101692 1.116352 1.953433
H -0.584283 1.930993 0.507889
H 4.048170 0.302621 -0.409972
H 4.187820 -0.753930 1.035910
H 4.037025 1.012281 1.241110
H -2.770164 1.446066 0.971230
H -2.380373 1.662360 -0.745259
H -4.866373 1.567098 -0.429989
H -4.729395 -0.049322 0.340054
H -4.325415 0.138395 -1.375689


