%chk=000052818.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052818

0 1
 O  -7.1300000E-02  -1.313600      8.1699997E-02
 O   -4.763200      -2.148200      2.2700001E-02
 O    5.894200     -0.9339000       1.087900    
 O    5.852700      -1.028500      -1.109100    
 N   -2.314700       1.319700      1.4200000E-02
 N   -2.384700     -0.9405000      4.7899999E-02
 N   -4.448100      0.1626000     -7.1000000E-03
 N    5.324000     -0.7331000     -1.0900000E-02
 C  -0.9969000      0.9280000      1.5799999E-02
 C   -3.080100      0.1729000      1.9099999E-02
 C   0.1595000       1.593100     -1.3500000E-02
 C    1.504300      0.9884000     -1.3000000E-02
 C   -1.041000     -0.5733000      5.3700000E-02
 C   -2.818700       2.671900     -6.5800004E-02
 C    2.144200      0.7617000       1.193900    
 C    2.099300      0.6586000      -1.219500    
 C    3.416000      0.1887000       1.194600    
 C    3.371000      8.5500002E-02  -1.218800    
 C    4.029400     -0.1496000     -1.1700000E-02
 C   -5.199900      -1.000600     -3.5000001E-03
 C   -6.675900     -0.7098000     -5.8499999E-02
 H   0.1610000       2.679600     -4.3600000E-02
 H   -3.628900       2.825600      0.6545000    
 H   -3.204400       2.872700      -1.070500    
 H   -2.046500       3.414900      0.1568000    
 H   -4.932400       1.055200     -3.5999998E-02
 H    1.676000       1.020800       2.139800    
 H    1.595800      0.8370000      -2.165900    
 H    3.898300      2.0199999E-02   2.154100    
 H    3.817500     -0.1649000      -2.177700    
 H   -7.239300      -1.638800      6.4900003E-02
 H   -6.927100     -0.2646000      -1.025200    
 H   -6.954200     -2.1100000E-02  0.7445000    


%chk=000052818-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052818

0 1
O -0.498440 -1.735805 -1.402307
O -5.519140 -1.932355 -0.131543
O 6.567765 0.925369 0.348176
O 6.202594 -0.982368 -0.851307
N -2.330651 0.831529 0.225542
N -2.749896 -1.075114 -1.017467
N -4.633952 0.248594 -0.251370
N 5.785561 0.055575 -0.204815
C -1.038862 0.331584 -0.097372
C -3.274275 -0.042068 -0.359487
C 0.116294 0.973195 0.302588
C 1.534125 0.661973 0.127527
C -1.336137 -0.940929 -0.897936
C -2.599690 1.961424 1.116605
C 2.463595 1.583976 0.711840
C 2.054808 -0.472253 -0.572881
C 3.848921 1.396619 0.610866
C 3.442135 -0.668569 -0.679321
C 4.324428 0.264148 -0.089169
C -5.702341 -0.705648 -0.265316
C -7.069716 -0.057888 -0.458334
H -0.043890 1.906099 0.864430
H -3.656293 1.947476 1.429007
H -2.378813 2.930927 0.632022
H -1.988918 1.877447 2.033819
H -4.904380 1.234519 -0.235018
H 2.082796 2.458905 1.252646
H 1.359722 -1.185286 -1.026411
H 4.563805 2.094571 1.053596
H 3.852241 -1.530844 -1.211628
H -7.845231 -0.746427 -0.092694
H -7.245777 0.118511 -1.535820
H -7.166486 0.909714 0.067335


