%chk=000039007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039007

0 1
 O    4.078400       2.962500     -0.2431000    
 N   -3.799700      0.1056000     -0.1174000    
 N  -0.1524000     -0.4508000      0.4608000    
 C   -4.667000      0.2310000      -1.288400    
 C   -4.023300       1.328400      0.6533000    
 C   -5.955400      0.7862000     -0.6997000    
 C   -5.532000       1.510400      0.5746000    
 C   -2.401500     -7.5800002E-02 -0.4785000    
 C   -1.551100     -0.2420000      0.7776000    
 C   0.7749000      0.5549000      0.3227000    
 C   0.4272000      -1.681300      0.2598000    
 C    1.996400     -4.8200000E-02  2.1900000E-02
 C    1.776600      -1.461800     -1.7700000E-02
 C   0.6237000       1.941400      0.4405000    
 C  -0.1385000      -2.960800      0.3026000    
 C    3.125600      0.7751000     -0.1711000    
 C    2.604400      -2.577100     -0.2650000    
 C    2.990200       2.163300     -5.6800000E-02
 C    1.756600       2.735700      0.2444000    
 C   0.7016000      -4.049400      5.4000001E-02
 C    2.053200      -3.862800     -0.2257000    
 C    5.311900       2.315700     -0.5489000    
 H   -4.832300     -0.7302000      -1.785200    
 H   -4.260100      0.9387000      -2.022200    
 H   -3.521000       2.194400      0.2033000    
 H   -3.709400       1.241400       1.697900    
 H   -6.651000     -2.4100000E-02 -0.4516000    
 H   -6.459900       1.459200      -1.400200    
 H   -5.807300       2.569700      0.5489000    
 H   -6.026400       1.055300       1.440900    
 H   -2.030000      0.7644000      -1.080300    
 H   -2.301500     -0.9748000      -1.100200    
 H   -1.895700      -1.091900       1.378400    
 H   -1.600000      0.6310000       1.436200    
 H  -0.3324000       2.399800      0.6693000    
 H   -1.190400      -3.119400      0.5146000    
 H    4.058600      0.2760000     -0.4031000    
 H    3.660500      -2.447900     -0.4848000    
 H    1.665800       3.816100      0.3287000    
 H   0.2927000      -5.056300      7.8400001E-02
 H    2.688100      -4.724000     -0.4162000    
 H    5.261000       1.780400      -1.503100    
 H    5.644200       1.671800      0.2725000    
 H    6.067500       3.099800     -0.6641000    


%chk=000039007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039007

0 1
O 4.256115 2.987324 -0.172586
N -3.839583 0.201410 -0.069755
N -0.143872 -0.419280 0.548599
C -4.761059 0.078486 -1.231522
C -4.205211 1.489304 0.582651
C -6.122798 0.508342 -0.642805
C -5.753196 1.579048 0.437868
C -2.413948 0.047927 -0.405367
C -1.551830 -0.166146 0.864031
C 0.859638 0.562208 0.398753
C 0.417536 -1.676499 0.262653
C 2.090488 -0.077106 0.031577
C 1.812139 -1.504537 -0.055511
C 0.780952 1.963605 0.562075
C -0.191559 -2.951103 0.266809
C 3.261530 0.694874 -0.171746
C 2.598186 -2.638362 -0.367985
C 3.176981 2.094241 -0.002955
C 1.948340 2.720949 0.360479
C 0.615832 -4.065375 -0.047527
C 1.996596 -3.914607 -0.361988
C 5.543851 2.409771 -0.551861
H -4.758994 -0.955564 -1.619767
H -4.466650 0.762399 -2.069055
H -3.716216 2.353678 0.062655
H -3.879320 1.504668 1.637831
H -6.614215 -0.357909 -0.167799
H -6.801643 0.903906 -1.418015
H -6.055844 2.594704 0.128731
H -6.258243 1.359245 1.393471
H -2.015841 0.927228 -0.975467
H -2.301515 -0.839670 -1.055795
H -1.962655 -1.020541 1.430849
H -1.609531 0.717216 1.525347
H -0.155241 2.461965 0.833787
H -1.253038 -3.081053 0.503031
H 4.199481 0.206939 -0.452494
H 3.661226 -2.529997 -0.611887
H 1.942164 3.809273 0.473566
H 0.169852 -5.066510 -0.050929
H 2.593487 -4.801058 -0.602478
H 5.482020 1.889806 -1.528758
H 5.913103 1.702879 0.217858
H 6.233285 3.263525 -0.630566


