%chk=000075141.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075141

0 1
 O   -2.888300       1.004700      0.7031000    
 O   -2.531600      -3.249900      0.7825000    
 O   -2.060100      0.7854000      -1.427900    
 O   -1.462000      -4.324300     -0.9060000    
 O    2.424200       1.845500     -0.4279000    
 O    4.132100       3.191300     -0.7675000    
 N   -1.913300     -0.9358000      0.1215000    
 N    2.700000     -0.4991000      0.3823000    
 N    4.439900       1.081100     -3.4000002E-02
 N    5.010800     -0.9910000      0.7015000    
 N    3.630300       2.112600     -0.4365000    
 C   0.2846000      -1.795600     -0.6122000    
 C   -1.239900      -1.905500     -0.7046000    
 C   -3.312000       2.337400      0.3950000    
 C   0.8476000      -2.023000      0.7958000    
 C    2.363300      -1.856000      0.8168000    
 C   -4.302800       2.276300     -0.7666000    
 C   -3.982000       2.907400       1.643400    
 C   -2.083000       3.164100      1.9800000E-02
 C   -2.267100      0.3280000     -0.3086000    
 C   -1.743700      -3.284900     -0.3239000    
 C    3.953100     -0.1688000      0.3545000    
 H   0.5755000     -0.8019000     -0.9743000    
 H   0.7376000      -2.525400      -1.295300    
 H   -1.552500      -1.731600      -1.741500    
 H   0.5955000      -3.029700       1.147400    
 H   0.3984000      -1.309600       1.496800    
 H   -2.128200      -1.180500       1.083800    
 H    2.819800      -2.599300      0.1523000    
 H    2.718700      -2.031400       1.839000    
 H   -3.845600       2.124900      -1.747600    
 H   -5.030200       1.469300     -0.6204000    
 H   -4.858800       3.218400     -0.8443000    
 H   -3.287500       2.906800       2.491300    
 H   -4.836000       2.288900       1.942400    
 H   -4.334800       3.931800       1.485600    
 H   -1.262600       2.988500      0.7255000    
 H   -1.691500       2.969300     -0.9817000    
 H   -2.320800       4.234300      4.1200001E-02
 H   -2.842400      -4.144500       1.038200    
 H    5.450100       1.197200     -5.5999998E-03
 H    5.969300     -0.6626000      0.6541000    
 H    4.874900      -1.946000       1.012800    


%chk=000075141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075141

0 1
O -2.574340 0.825606 0.504152
O -2.623563 -3.699611 1.019940
O -1.537777 0.286196 -1.568445
O -1.790351 -4.881534 -0.798359
O 4.594200 2.822661 0.333100
O 2.659506 4.012514 -0.026540
N -2.086639 -1.332383 0.028386
N 1.909120 -0.416166 0.482894
N 2.534135 1.756681 0.235382
N 4.277590 0.142816 0.631030
N 3.306858 2.917441 0.179200
C 0.062754 -2.394380 -0.748858
C -1.501451 -2.437013 -0.737563
C -2.566618 2.327284 0.258739
C 0.709552 -2.544000 0.644797
C 2.094688 -1.863341 0.698197
C -3.412161 2.653361 -0.988788
C -3.224824 2.861914 1.542404
C -1.107517 2.814496 0.128877
C -2.019918 -0.040806 -0.448115
C -1.976487 -3.789211 -0.225157
C 2.931821 0.394341 0.466921
H 0.332459 -1.409447 -1.168665
H 0.424365 -3.177761 -1.440947
H -1.828407 -2.357502 -1.792481
H 0.810381 -3.611412 0.923141
H 0.074663 -2.054093 1.406857
H -2.509528 -1.515400 0.938987
H 2.759996 -2.307387 -0.079567
H 2.568189 -2.066686 1.686251
H -2.946889 2.242922 -1.898429
H -4.427974 2.232816 -0.883430
H -3.501951 3.749962 -1.096954
H -2.638136 2.570597 2.430720
H -4.245910 2.457483 1.650454
H -3.284061 3.964262 1.504057
H -0.530080 2.503904 1.019681
H -0.647153 2.404991 -0.785914
H -1.083696 3.917291 0.072484
H -2.893626 -4.608256 1.321879
H 1.527506 1.905677 0.096359
H 4.944067 0.919050 0.589818
H 4.586209 -0.811076 0.793705


