%chk=000137308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137308

0 1
 O   -3.481100      9.3500003E-02 -0.3364000    
 O   -3.451800      -3.403500      0.7249000    
 O    2.540200      -1.669500      0.1041000    
 O    5.300800      -1.252600      1.3100000E-02
 N    3.195900       1.765900     -0.3982000    
 C   -3.727500       2.428500     -0.7146000    
 C   -2.844000       3.489100     -0.1342000    
 C   -4.290400       3.781400     -0.4071000    
 C   -4.122100       1.270800      0.1365000    
 C   -3.827900      -1.040100      0.4463000    
 C   -3.066900      -2.272500     -6.6600002E-02
 C   -1.585000      -2.112700     -2.1600001E-02
 C    4.405900     -0.3731000     -0.6686000    
 C    4.090700      0.8264000      0.2232000    
 C    2.940100       2.918700      0.4659000    
 C  -0.9502000      -1.835200       1.189100    
 C  -0.8336000      -2.241600      -1.189600    
 C    3.164600      -1.162700      -1.071400    
 C    1.179400      -1.816300      6.3400000E-02
 C   0.4361000      -1.686400       1.231700    
 C   0.5527000      -2.093100      -1.147000    
 C    2.030200       3.920300     -0.2345000    
 C    2.343800       2.464600       1.791800    
 H   -3.621300       2.173100      -1.761800    
 H   -2.533200       3.408800      0.9000000    
 H   -2.105900       3.940900     -0.7859000    
 H   -4.523800       4.433200      -1.240000    
 H   -4.951400       3.888400      0.4441000    
 H   -5.207800       1.133200      6.8999998E-02
 H   -3.860300       1.438500       1.188100    
 H   -4.907400      -1.222600      0.3712000    
 H   -3.610000     -0.8548000       1.505400    
 H   -3.384600      -2.474800      -1.097100    
 H    4.916600     -3.4800000E-02  -1.578500    
 H    3.690500      0.4251000       1.160600    
 H    5.037700       1.315300      0.4884000    
 H    3.887300       3.434900      0.6700000    
 H    3.581400       2.081800      -1.287600    
 H    3.461900      -2.018500      -1.689100    
 H    2.504200     -0.5088000      -1.654000    
 H   -1.515900      -1.740200       2.111800    
 H   -1.312500      -2.464400      -2.139400    
 H   -4.415600      -3.503500      0.6425000    
 H   0.9271000      -1.470900       2.176500    
 H    1.102600      -2.232900      -2.072700    
 H    1.052300       3.480900     -0.4619000    
 H    1.864500       4.802100      0.3939000    
 H    2.473500       4.263900      -1.175700    
 H    3.080600       1.979200       2.439600    
 H    1.499200       1.781200       1.645700    
 H    1.967400       3.326600       2.355300    
 H    6.101400     -0.7453000      0.2306000    


%chk=000137308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137308

0 1
O -4.281581 -0.258027 -0.265716
O -3.258247 -3.005000 2.002642
O 2.360791 -0.925292 -0.131237
O 4.933227 -1.353079 -1.485447
N 4.282017 2.041347 0.059575
C -5.122760 1.616958 -1.539921
C -3.986815 2.255750 -2.349338
C -5.113531 3.135810 -1.785559
C -4.852188 1.094921 -0.148902
C -4.048693 -0.883387 1.037921
C -3.195212 -2.154911 0.799808
C -1.729266 -1.843376 0.526199
C 4.298015 -0.037350 -1.307652
C 4.757884 0.647313 0.001610
C 4.043829 2.618872 1.412611
C -0.720829 -2.173946 1.467385
C -1.352988 -1.195973 -0.674461
C 2.787850 -0.253471 -1.365955
C 0.993004 -1.201407 0.016523
C 0.627946 -1.858615 1.217274
C -0.002776 -0.871087 -0.936867
C 4.002290 4.156089 1.292883
C 2.726142 2.075541 2.008034
H -5.855996 1.028611 -2.101827
H -3.001733 2.314217 -1.876165
H -3.958657 2.076380 -3.427610
H -5.849729 3.549502 -2.480264
H -4.876934 3.792069 -0.941542
H -5.793557 1.051158 0.445116
H -4.135527 1.756851 0.387606
H -5.025310 -1.164036 1.498877
H -3.516829 -0.193555 1.727021
H -3.637768 -2.682832 -0.072934
H 4.562680 0.623124 -2.166480
H 4.336894 0.080349 0.847611
H 5.873484 0.563719 0.071438
H 4.877660 2.349766 2.108659
H 4.849994 2.669467 -0.523575
H 2.540409 -0.881527 -2.244347
H 2.293437 0.734583 -1.446529
H -1.007435 -2.691432 2.386422
H -2.123756 -0.929372 -1.405108
H -4.189003 -3.318469 2.126679
H 1.414358 -2.120148 1.932487
H 0.255602 -0.372450 -1.875557
H 3.213992 4.458852 0.578702
H 3.778684 4.616298 2.271275
H 4.969591 4.562919 0.938775
H 2.702551 0.971739 2.007556
H 1.868353 2.425443 1.405514
H 2.597858 2.424145 3.049890
H 5.886978 -1.287552 -1.223898


