%chk=000126029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126029

0 1
 O    3.930800      0.1050000       1.980200    
 O    1.233700       4.417100      7.5700000E-02
 O    6.161700      -1.424300       1.489600    
 O    6.800800      -2.147100      -1.105300    
 O   -7.500100      -1.508500      4.8900001E-02
 O   -3.880700      3.1700000E-02  -2.604000    
 O   -5.859200      -1.089300       2.225700    
 N  -2.8000001E-02   2.522200      0.3056000    
 N   -2.285700      0.4450000     -0.5181000    
 N   0.8315000      -1.023600      0.1004000    
 N   -6.442800     -0.9146000      -2.497700    
 C    2.225700      0.9805000     -0.1335000    
 C  -0.1571000       1.154800      0.3213000    
 C   0.9071000      0.3491000      0.1090000    
 C    2.365100       2.328900     -0.1502000    
 C    3.437500      0.1566000     -0.3649000    
 C   -1.512900      0.6385000      0.5737000    
 C    1.154700       3.189800      8.3600000E-02
 C   -4.038400     -0.3168000      0.9588000    
 C   -3.533400     -2.9600000E-02 -0.2964000    
 C    4.237400     -0.2483000      0.6980000    
 C   -1.925700      0.3819000       1.871100    
 C    3.634900       3.107000     -0.3829000    
 C    3.756900     -0.2045000      -1.669500    
 C   -3.214400     -0.1051000       2.063200    
 C    5.370900      -1.023800      0.4535000    
 C   -4.349300     -0.2300000      -1.501200    
 C   -5.404800     -0.8302000       1.118100    
 C    4.890100     -0.9799000      -1.913900    
 C    5.697100      -1.389600     -0.8526000    
 C   -5.738300     -0.7513000      -1.337900    
 C   -6.213700      -1.025300     -0.1126000    
 C    5.841600      -2.670700       2.103300    
 C    8.022400      -1.451900      -1.347300    
 C   -8.415500     -0.4439000      0.2082000    
 H  -0.8632000       3.078300      0.4680000    
 H   -1.275200      0.5505000       2.723500    
 H    4.515500       2.482200     -0.5491000    
 H    3.851300       3.741300      0.4837000    
 H    3.526400       3.749600      -1.263300    
 H    3.137500      0.1062000      -2.507100    
 H   -3.556800     -0.3127000       3.073000    
 H  -5.6100000E-02  -1.484300      0.2569000    
 H    1.654000      -1.588700     -6.4099997E-02
 H    5.137800      -1.261900      -2.933700    
 H    3.113700      0.6265000       2.014100    
 H   -6.014000     -0.6868000      -3.386000    
 H   -7.389000      -1.273100      -2.467500    
 H    5.923600      -3.488400       1.380200    
 H    6.555600      -2.847300       2.912300    
 H    4.832700      -2.644500       2.527000    
 H    8.808200      -2.191400      -1.523500    
 H    8.300100     -0.8464000     -0.4787000    
 H    7.933100     -0.8175000      -2.234800    
 H   -8.447100      0.2000000     -0.6775000    
 H   -8.183100      0.1543000       1.096200    
 H   -9.413500     -0.8715000      0.3453000    


%chk=000126029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126029

0 1
O 4.131048 0.807230 1.601030
O 0.903991 3.943408 -1.168057
O 6.553754 -0.653943 1.725259
O 7.243373 -2.369195 -0.461711
O -8.013058 -0.354299 0.112156
O -4.609259 2.663817 -1.149001
O -5.901264 -2.311932 0.874066
N -0.134207 1.900777 -0.711327
N -2.516110 0.878266 -0.497507
N 1.163495 -1.556110 -0.296138
N -7.227167 2.007140 -0.865804
C 2.308328 0.581984 -0.639292
C -0.156439 0.530467 -0.434887
C 1.067982 -0.172916 -0.451435
C 2.282549 1.963692 -0.854252
C 3.605654 -0.175165 -0.597445
C -1.501284 -0.001623 -0.168804
C 0.996014 2.694068 -0.927993
C -4.188279 -0.749755 0.225364
C -3.802979 0.513263 -0.309881
C 4.462974 -0.039343 0.531215
C -1.807141 -1.261668 0.433574
C 3.510266 2.808134 -1.083726
C 4.010048 -1.029254 -1.655641
C -3.151098 -1.628784 0.620881
C 5.684539 -0.763832 0.627347
C -4.866360 1.508241 -0.688894
C -5.617546 -1.149051 0.405437
C 5.238037 -1.715212 -1.600342
C 6.079655 -1.587589 -0.468427
C -6.280217 1.088604 -0.497793
C -6.632020 -0.165362 0.025558
C 5.985669 -0.918702 3.067749
C 8.529636 -1.695534 -0.167571
C -8.607145 -1.541770 0.766452
H -1.070684 2.335723 -0.776297
H -1.015724 -1.908194 0.819622
H 4.422825 2.201949 -1.190748
H 3.650789 3.530487 -0.256759
H 3.362389 3.428053 -1.986034
H 3.371901 -1.120002 -2.541231
H -3.425619 -2.582297 1.081772
H 0.365002 -2.154904 -0.489436
H 2.093334 -1.970393 -0.370368
H 5.572139 -2.359297 -2.418311
H 3.285192 1.285868 1.389922
H -6.905235 2.903761 -1.233520
H -8.215151 1.787209 -0.765673
H 5.546692 -1.933668 3.102908
H 6.844305 -0.856463 3.753235
H 5.226866 -0.162776 3.324532
H 9.281948 -2.497732 -0.205233
H 8.507304 -1.221325 0.826040
H 8.745821 -0.940072 -0.947208
H -8.264450 -1.626836 1.810267
H -8.343002 -2.462341 0.224413
H -9.690680 -1.350600 0.722747


