%chk=000177206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177206

0 1
 O    1.515000      0.5408000      0.5328000    
 O    2.564000      0.6390000      -1.518500    
 O   -3.128300      -2.943900     -0.2149000    
 O   -1.272100      -2.155100      0.6521000    
 N   -2.200000      0.4579000      0.3219000    
 N    4.921600     -8.3999999E-02 -0.2009000    
 N   -4.105000       1.191500     -0.5156000    
 N   -2.413900      -1.962800      0.1425000    
 C  -0.8685000      0.4917000      0.9230000    
 C   0.2406000      0.5496000     -0.1187000    
 C   -2.955800       1.544300      1.6500000E-02
 C   -2.889200     -0.6580000     -2.7400000E-02
 C   -4.070000     -0.1801000     -0.5453000    
 C    3.851300      0.5743000      0.5473000    
 C   -2.502900       2.928000      0.2661000    
 C    2.601100      0.5897000     -0.2965000    
 C    4.545000      -1.458400     -0.5294000    
 C    6.167300     -6.4499997E-02  0.5649000    
 H  -0.8121000       1.399800       1.537000    
 H  -0.7444000     -0.2972000       1.666800    
 H   0.1787000     -0.3142000     -0.7910000    
 H   0.1509000       1.461100     -0.7214000    
 H    3.656500      5.2999999E-02   1.492900    
 H    4.107700       1.616900      0.7663000    
 H   -4.900300     -0.7483000     -0.9403000    
 H   -3.231900       3.642300     -0.1308000    
 H   -2.404200       3.121300       1.338700    
 H   -1.545900       3.132000     -0.2223000    
 H    3.701900      -1.520600      -1.223300    
 H    4.300200      -2.043900      0.3650000    
 H    5.374600      -1.963500      -1.038900    
 H    6.983000     -0.5119000     -1.4200000E-02
 H    6.079700     -0.6068000       1.513400    
 H    6.468000      0.9662000      0.7836000    


%chk=000177206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177206

0 1
O 1.384553 0.074733 0.581347
O 2.454647 -0.197107 -1.470164
O -4.095925 -2.627975 0.086504
O -1.945945 -2.276427 0.802545
N -2.306143 0.549131 0.356847
N 5.028721 0.046248 -0.073588
N -4.140023 1.547322 -0.562226
N -3.090653 -1.853476 0.339638
C -0.952871 0.417066 0.941079
C 0.080172 0.011573 -0.122355
C -2.887278 1.747103 -0.056161
C -3.259512 -0.457135 0.084948
C -4.375981 0.186869 -0.474354
C 3.764877 -0.075450 0.661238
C -2.228402 3.085398 0.055876
C 2.526993 -0.073739 -0.232590
C 5.364805 -1.148189 -0.878860
C 6.138688 0.463383 0.807608
H -0.672669 1.392307 1.371646
H -0.972379 -0.335467 1.741912
H -0.093581 -1.017206 -0.480981
H 0.090544 0.702118 -0.985451
H 3.700329 -1.000783 1.295372
H 3.661546 0.774951 1.359834
H -5.302508 -0.271564 -0.808624
H -2.893488 3.828300 -0.408921
H -2.063859 3.381639 1.108918
H -1.251492 3.117986 -0.459902
H 4.557066 -1.347772 -1.599803
H 5.529001 -2.062136 -0.252587
H 6.289929 -0.951393 -1.447978
H 7.043140 0.628098 0.196243
H 6.391966 -0.289005 1.597435
H 5.888333 1.416800 1.306956


