%chk=000127395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127395

0 1
 O  -0.6439000     -0.2033000      0.8771000    
 O   -4.807100     -0.1064000      -1.451300    
 O    3.772600     -0.3370000      0.6916000    
 O   -1.525500       1.271200       2.451500    
 O    3.597600      0.7650000       2.699000    
 O   -6.796800     -4.7300000E-02  -2.576800    
 N    1.814300      0.6316000       1.220300    
 C   0.8472000       1.373300       1.989600    
 C   0.9314000       2.877400       1.690200    
 C   0.5872000       3.257200      0.2676000    
 C  -0.5698000      0.8395000       1.814300    
 C   -4.483700      -1.759800      0.3175000    
 C   -1.894100     -0.7072000      0.6922000    
 C  -0.7309000       3.559900     -7.4199997E-02
 C    1.587800       3.304300     -0.7032000    
 C   -4.008000     -0.6972000     -0.4520000    
 C   -5.843300      -2.256800      6.7000002E-02
 C   -2.729100     -0.1649000     -0.2790000    
 C   -3.627200      -2.292100       1.290500    
 C   -2.342300      -1.769300       1.475700    
 C    3.107800      0.3896000       1.638900    
 C   -1.048200       3.909900      -1.386700    
 C    1.270400       3.654400      -2.015600    
 C   -6.580800      -1.675600     -0.8897000    
 C  -4.7499999E-02   3.957100      -2.357400    
 C   -6.384100      -3.398100      0.8777000    
 C   -6.093200     -0.5542000      -1.710100    
 C    5.133700     -0.6624000      0.9957000    
 C    5.712800      -1.455600     -0.1387000    
 C    5.618600      -2.847300     -0.1362000    
 C    6.345100     -0.8013000      -1.196100    
 C    6.156800      -3.584800      -1.190800    
 C    6.883200      -1.539000      -2.250700    
 C    6.788900      -2.930700      -2.247900    
 H    1.094100       1.216200       3.047500    
 H    1.940400       3.245500       1.919700    
 H   0.2625000       3.424200       2.368500    
 H    1.536100      0.2721000      0.3119000    
 H   -1.520600       3.532100      0.6714000    
 H    2.619000       3.072200     -0.4504000    
 H   -2.389800      0.6620000     -0.8965000    
 H   -3.936000      -3.120200       1.923200    
 H   -1.695700      -2.199400       2.236300    
 H   -2.074400       4.145700      -1.652800    
 H    2.049600       3.691300      -2.771400    
 H   -7.589600      -2.017200      -1.101800    
 H  -0.2947000       4.229500      -3.379200    
 H   -7.406200      -3.660900      0.5825000    
 H   -5.769600      -4.295000      0.7452000    
 H   -6.411900      -3.140600       1.941900    
 H    5.709800      0.2592000       1.145900    
 H    5.176600      -1.244100       1.925000    
 H    5.126400      -3.368300      0.6807000    
 H    6.422800      0.2826000      -1.210700    
 H    6.082900      -4.668400      -1.189100    
 H    7.374900      -1.029800      -3.074400    
 H    7.207600      -3.504900      -3.069200    


%chk=000127395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127395

0 1
O -0.839185 -0.265652 1.240445
O -4.378331 -1.036783 -1.877263
O 3.498128 -1.664885 1.061570
O -1.174795 1.450682 2.812732
O 3.840001 0.195333 2.485076
O -5.998297 -1.420400 -3.475737
N 1.762314 -0.270264 1.508387
C 1.107512 0.906240 2.077507
C 1.452951 2.242675 1.307795
C 1.025677 2.226964 -0.149024
C -0.407474 0.745624 2.135182
C -4.918405 -1.219622 0.525639
C -2.228004 -0.536018 1.045538
C -0.253058 2.709633 -0.534163
C 1.879436 1.691291 -1.148781
C -3.997402 -0.964268 -0.536206
C -6.296833 -1.568331 0.182874
C -2.653240 -0.619723 -0.288260
C -4.433848 -1.118475 1.861009
C -3.099535 -0.782085 2.135010
C 3.093213 -0.508670 1.749451
C -0.675241 2.645426 -1.881203
C 1.459921 1.626218 -2.497116
C -6.659335 -1.637265 -1.148608
C 0.179325 2.098942 -2.867403
C -7.304308 -1.844181 1.276195
C -5.746130 -1.380624 -2.257690
C 4.971409 -1.961562 1.118990
C 5.714954 -1.267455 -0.001988
C 5.894491 -1.911956 -1.252470
C 6.233810 0.041132 0.181986
C 6.575501 -1.260981 -2.305221
C 6.914659 0.693135 -0.870197
C 7.087305 0.044133 -2.115665
H 1.466695 1.043188 3.114428
H 2.546312 2.366223 1.405237
H 0.966715 3.068683 1.857762
H 1.252468 -0.856594 0.846181
H -0.918412 3.142822 0.223622
H 2.878512 1.331875 -0.873434
H -1.968744 -0.418437 -1.115857
H -5.115799 -1.308005 2.695316
H -2.738414 -0.700252 3.162070
H -1.664547 3.023964 -2.162001
H 2.132643 1.211625 -3.256267
H -7.680306 -1.894538 -1.443898
H -0.146457 2.049652 -3.912347
H -8.292375 -2.086546 0.853905
H -6.984586 -2.692846 1.909726
H -7.420672 -0.967461 1.940565
H 5.340642 -1.650280 2.111132
H 5.003772 -3.057746 1.020002
H 5.497212 -2.923705 -1.401147
H 6.089243 0.541240 1.146406
H 6.710783 -1.768905 -3.266659
H 7.313412 1.702463 -0.718805
H 7.618814 0.549251 -2.930124


