%chk=000104402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104402

0 1
 O    1.813400       1.628300     -0.2672000    
 O   0.4219000      -1.465300      0.2581000    
 O   -2.730200     -0.2191000     -0.2924000    
 N    4.908000      0.6360000       1.405500    
 N    3.377200      -3.109700      -1.128000    
 N   -5.937600      0.8245000       1.115600    
 C  -0.4834000      0.7859000     -0.1255000    
 C  -0.9712000       2.016300      0.6970000    
 C   0.7145000       1.156100      -1.035700    
 C  -4.7300000E-02 -0.2901000      0.9073000    
 C   -1.600200      0.2169000      -1.036900    
 C   -1.445400       3.212200     -0.1200000    
 C    2.902200       2.012400      -1.095700    
 C   0.8628000      -2.437500       1.195800    
 C   -3.760400     -0.7021000      -1.143600    
 C    4.052000       2.509600     -0.2308000    
 C    1.354600      -3.674200      0.4567000    
 C   -4.946200      -1.156200     -0.3038000    
 C    4.529800       1.461700      0.6833000    
 C    2.485100      -3.357600     -0.4287000    
 C   -5.499600     -4.8400000E-02  0.4890000    
 H  -0.1662000       2.357600       1.360700    
 H   -1.794700       1.709900       1.355100    
 H    1.039200      0.2751000      -1.604400    
 H   0.4205000       1.919500      -1.765700    
 H  -0.8925000     -0.5562000       1.554900    
 H   0.7484000      0.1061000       1.551100    
 H   -1.213000     -0.6356000      -1.610000    
 H   -1.914800      0.9734000      -1.765800    
 H  -0.6464000       3.619900     -0.7450000    
 H   -1.771500       4.011700      0.5540000    
 H   -2.296200       2.956600     -0.7573000    
 H    2.583900       2.815300      -1.770900    
 H    3.225100       1.154200      -1.698000    
 H   3.1399999E-02  -2.714900       1.854300    
 H    1.670600      -2.017400       1.807800    
 H   -4.069100      9.2699997E-02  -1.833800    
 H   -3.385100      -1.549300      -1.729300    
 H    3.716500       3.366900      0.3645000    
 H    4.873600       2.850000     -0.8699000    
 H   0.5393000      -4.085000     -0.1501000    
 H    1.650500      -4.442000       1.179400    
 H   -4.625800      -1.950400      0.3805000    
 H   -5.721700      -1.572100     -0.9557000    


%chk=000104402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104402

0 1
O 1.713914 1.619740 -0.300818
O 0.430850 -1.446528 0.239818
O -2.867276 -0.082222 -0.190744
N 4.028068 -0.091525 1.931634
N 3.479813 -1.836333 -1.679848
N -6.209774 1.644184 0.322588
C -0.570539 0.760013 -0.168852
C -1.075713 2.040626 0.567149
C 0.615337 1.078435 -1.114173
C -0.103441 -0.246534 0.911948
C -1.676975 0.112937 -1.032711
C -1.765765 3.094526 -0.324479
C 3.008323 1.607820 -0.980183
C 1.326816 -2.241876 1.076277
C -3.927803 -0.804024 -0.882421
C 4.074743 1.852507 0.108229
C 2.078615 -3.202644 0.130027
C -5.160560 -0.790882 0.042601
C 4.066461 0.786981 1.125681
C 2.861914 -2.466717 -0.877554
C -5.737594 0.555203 0.204053
H -0.204005 2.497225 1.072741
H -1.789526 1.727971 1.352268
H 0.951202 0.149372 -1.618267
H 0.315799 1.823558 -1.882133
H -0.960446 -0.530075 1.555090
H 0.691302 0.222344 1.524198
H -1.322015 -0.866403 -1.417842
H -1.939869 0.765453 -1.894033
H -1.116801 3.434047 -1.153412
H -2.021830 3.985917 0.276311
H -2.708934 2.708144 -0.750037
H 3.067438 2.422334 -1.734041
H 3.182537 0.635503 -1.482638
H 0.753620 -2.839618 1.817566
H 2.045067 -1.592484 1.614718
H -4.164948 -0.324508 -1.856702
H -3.624457 -1.856784 -1.073547
H 3.876882 2.820248 0.605042
H 5.076403 1.906800 -0.357476
H 1.351392 -3.852446 -0.391053
H 2.754475 -3.850508 0.718771
H -4.863818 -1.176908 1.035215
H -5.936883 -1.467169 -0.362562


