%chk=000158591.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158591

0 1
 O    5.342100       2.881800     -9.9999998E-03
 N  -9.5399998E-02  -1.403600      9.0999998E-02
 N    3.809300       1.131700     -6.6799998E-02
 N   -3.557700      3.9200000E-02  -1.911800    
 C    1.245000      -1.553600      0.6872000    
 C    1.774900      -2.988100      0.5561000    
 C   -1.047400      -2.360100      0.6839000    
 C   0.7999000      -4.002700       1.136700    
 C    2.196500     -0.6602000     -5.0799999E-02
 C  -0.5804000      -3.806200      0.5266000    
 C  -0.6217000     -4.2900000E-02  0.2575000    
 C    2.337200     -0.9160000      -1.528000    
 C    2.956600      0.2791000      -2.245600    
 C    2.881000      0.3173000      0.5697000    
 C    4.147000      0.8185000      -1.464800    
 C   -1.952700      0.1310000     -0.4149000    
 C   -3.079500      0.7668000      0.1423000    
 C   -2.256300     -0.3087000      -1.667600    
 C    4.518900       2.163600      0.5656000    
 C   -4.085600      0.6971000     -0.8237000    
 C   -3.360500       1.399200       1.369800    
 C   -5.363700       1.230300     -0.6228000    
 C    4.246000       2.396000       2.033600    
 C   -4.634500       1.937300       1.584500    
 C   -5.619200       1.853200      0.6021000    
 H    1.206700      -1.294500       1.754700    
 H    2.741800      -3.083900       1.066500    
 H    1.942700      -3.271300     -0.4901000    
 H   -2.033100      -2.310100      0.2104000    
 H   -1.194300      -2.144800       1.751400    
 H   0.7442000      -3.879700       2.225200    
 H    1.155400      -5.021100      0.9451000    
 H  -0.5561000      -4.073400     -0.5375000    
 H   -1.295700      -4.481100       1.010200    
 H   4.1499998E-02  0.7003000     -0.2016000    
 H  -0.6927000      0.2127000       1.322500    
 H    2.986400      -1.785200      -1.686500    
 H    1.376000      -1.135000      -2.004600    
 H    3.262500     -4.9999999E-03  -3.258500    
 H    2.201900       1.070100      -2.346700    
 H    2.720300      0.4853000       1.627300    
 H    4.961100      8.3099999E-02  -1.442000    
 H    4.535200       1.713000      -1.964300    
 H   -1.679600     -0.8334000      -2.416600    
 H   -4.059100     -0.1579000      -2.766900    
 H   -2.606000       1.475300       2.147500    
 H   -6.130900       1.165100      -1.386900    
 H    4.512700       1.509200       2.614700    
 H    3.195800       2.657200       2.188900    
 H    4.858800       3.230800       2.388200    
 H   -4.856900       2.426500       2.529200    
 H   -6.601900       2.278000      0.7901000    


%chk=000158591-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158591

0 1
O 5.280266 2.947887 0.040204
N -0.137969 -1.649135 0.310134
N 3.762019 1.186089 -0.034893
N -3.632085 -0.265225 -1.872217
C 1.319592 -1.695778 0.665391
C 1.881712 -3.115564 0.363814
C -0.919676 -2.693278 1.028993
C 1.087322 -4.223653 1.085728
C 2.119118 -0.642900 -0.091706
C -0.407647 -4.111160 0.721314
C -0.739534 -0.304006 0.517972
C 2.046898 -0.617198 -1.610351
C 2.535734 0.742600 -2.156716
C 2.909957 0.240275 0.588367
C 3.881199 1.137527 -1.518529
C -2.025220 -0.113052 -0.251420
C -3.094583 0.818075 0.065893
C -2.387073 -0.749853 -1.437778
C 4.516314 2.146046 0.661374
C -4.091406 0.700630 -0.969697
C -3.312572 1.741977 1.123777
C -5.275996 1.469635 -0.971714
C 4.382245 2.186166 2.182166
C -4.492637 2.510631 1.127810
C -5.464035 2.376783 0.091004
H 1.450085 -1.510439 1.767279
H 2.947956 -3.136846 0.657927
H 1.833193 -3.288945 -0.728668
H -1.977286 -2.588264 0.728714
H -0.873037 -2.522899 2.137960
H 1.207271 -4.115076 2.183641
H 1.486942 -5.219477 0.814723
H -0.545748 -4.321389 -0.357325
H -1.008973 -4.848775 1.286600
H 0.005819 0.448748 0.196242
H -0.926415 -0.103075 1.605245
H 2.663445 -1.435876 -2.037172
H 1.005939 -0.821559 -1.923500
H 2.657792 0.702532 -3.254627
H 1.785378 1.525591 -1.935743
H 2.924003 0.239163 1.681391
H 4.663917 0.400406 -1.788695
H 4.230359 2.128813 -1.848376
H -1.846522 -1.518449 -1.985612
H -4.126458 -0.577276 -2.704612
H -2.573936 1.859396 1.925092
H -6.024968 1.371533 -1.765879
H 4.727049 1.245638 2.650394
H 3.339644 2.365818 2.501153
H 5.012946 3.010471 2.544901
H -4.672674 3.226149 1.937993
H -6.371167 2.990768 0.121534


