%chk=000145852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145852

0 1
 O    4.702200      -3.017100      0.6338000    
 O    4.616300     -0.8564000       1.012400    
 N   -1.155000      0.5820000      -1.304600    
 N   -5.527000      -1.448900      0.8125000    
 N    2.674300      0.4701000      0.3956000    
 N    4.108300      -1.916000      0.5797000    
 C   -3.512400       1.139200      -1.125700    
 C   -3.806500      4.1600000E-02 -9.7599998E-02
 C   -2.073200       1.641900      -1.055100    
 C   0.1436000      0.5442000     -0.7282000    
 C   -5.263800     -0.4117000     -0.1781000    
 C   0.8332000     -0.6701000     -0.6526000    
 C   0.7206000       1.721400     -0.2413000    
 C    2.114000     -0.6610000     -7.4800000E-02
 C    2.005800       1.637100      0.3203000    
 C   0.2774000      -1.868400      -1.133900    
 C    2.805500      -1.866900      3.5999999E-03
 C   5.0299998E-02   2.955500     -0.3044000    
 C    2.585600       2.805700      0.8068000    
 C   -6.927900      -1.870400      0.7576000    
 C   -5.191800     -0.9750000       2.156400    
 C   0.9896000      -3.060600      -1.043700    
 C    2.256300      -3.059400     -0.4738000    
 C   0.6520000       4.109200      0.1892000    
 C    1.922300       4.033800      0.7459000    
 H   -3.716100      0.7501000      -2.131900    
 H   -4.194500       1.984000     -0.9673000    
 H   -3.146000     -0.8192000     -0.2576000    
 H   -3.567900      0.4650000      0.8835000    
 H   -2.025800       2.389000      -1.855600    
 H   -2.030700       2.032600     -3.2099999E-02
 H   -5.456000     -0.8064000      -1.183600    
 H   -5.927900      0.4511000     -3.4499999E-02
 H   -1.423600     -0.1476000      -1.951600    
 H  -0.7125000      -1.925000      -1.575500    
 H  -0.8016000       3.262400     -0.8706000    
 H    3.581200       2.772800       1.245600    
 H   -7.177300      -2.247100     -0.2407000    
 H   -7.110600      -2.694300       1.456300    
 H   -7.616000      -1.052200      0.9998000    
 H   -5.633400      2.7999999E-03   2.381100    
 H   -5.557800      -1.682100       2.911400    
 H   -4.110100     -0.9356000       2.318000    
 H   0.5567000      -3.985100      -1.413500    
 H    2.784600      -4.007800     -0.4185000    
 H   0.1562000       5.071700      0.1009000    
 H    2.405500       4.929900       1.124200    


%chk=000145852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145852

0 1
O 4.059102 -3.065582 1.489401
O 4.824806 -1.317596 0.235379
N -1.173387 0.925128 -1.467940
N -5.341736 -1.623158 0.838649
N 2.585535 0.456441 0.552877
N 3.888001 -2.094243 0.646771
C -3.631441 1.200184 -1.194373
C -3.808551 0.178386 -0.048193
C -2.253972 1.901188 -1.204651
C 0.059722 0.814039 -0.839368
C -5.219726 -0.446558 -0.052800
C 0.644967 -0.503501 -0.676516
C 0.793001 1.951416 -0.343615
C 1.943444 -0.598959 -0.015501
C 2.023401 1.697692 0.398885
C -0.015067 -1.708240 -1.086656
C 2.526287 -1.920303 0.092431
C 0.419691 3.321948 -0.579095
C 2.736211 2.807011 0.973239
C -6.608156 -2.351238 0.612919
C -5.146884 -1.299034 2.267310
C 0.569392 -2.963284 -0.906856
C 1.859464 -3.073067 -0.311259
C 1.156550 4.375670 -0.041697
C 2.311154 4.115941 0.768501
H -3.798725 0.702605 -2.174024
H -4.408331 1.986876 -1.116360
H -3.068904 -0.640916 -0.133606
H -3.611011 0.686342 0.916019
H -2.262578 2.701186 -1.973396
H -2.071658 2.378394 -0.225155
H -5.452466 -0.789176 -1.081235
H -5.973903 0.348501 0.199294
H -1.482726 0.105956 -1.992935
H -1.016900 -1.676205 -1.531247
H -0.429889 3.553435 -1.224801
H 3.638372 2.568036 1.544001
H -6.682477 -2.651010 -0.448005
H -6.623217 -3.268531 1.228069
H -7.519572 -1.751439 0.867411
H -5.891783 -0.556846 2.655235
H -5.240585 -2.221707 2.866752
H -4.135620 -0.892963 2.437171
H 0.038136 -3.868290 -1.215902
H 2.334527 -4.047520 -0.166024
H 0.861088 5.409548 -0.250392
H 2.872515 4.952240 1.199085


