%chk=000072468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072468

0 1
 O    2.759600      -2.541600      0.8805000    
 O    5.597000       1.961800     -0.5584000    
 N    1.373100     -0.1478000      0.3632000    
 N   -2.679500      0.8961000       1.908400    
 N   -4.820800      0.3078000       1.252200    
 N   -5.300500     -0.3820000      -1.004600    
 N   -3.625800     -0.4818000      -2.611400    
 N   -6.998000     -0.2839000      0.6052000    
 C  -0.8376000      0.8399000      0.3466000    
 C   -1.706000      0.4105000     -0.6413000    
 C   0.6157000       1.059100      0.1071000    
 C   -3.063300      0.2275000     -0.3389000    
 C   -3.527300      0.4803000      0.9574000    
 C   -1.371900       1.067100       1.597100    
 C    2.751200     -0.2214000      0.2655000    
 C   -1.109500      0.1685000      -1.994500    
 C   -3.997600     -0.2018000      -1.278200    
 C    3.446900      -1.419900      0.5239000    
 C    3.502000      0.9136000     -0.1000000    
 C    4.891800      0.8532000     -0.2029000    
 C    4.836800      -1.480100      0.4209000    
 C   -5.638700     -0.1119000      0.2641000    
 C    5.559100     -0.3435000      5.7599999E-02
 C    2.328300      -3.399200     -0.1739000    
 C    7.014900       1.829200     -0.6456000    
 H   0.8145000       1.484800     -0.8827000    
 H   0.9508000       1.839200      0.8059000    
 H   0.8779000     -0.9909000      0.6333000    
 H  -0.7567000       1.402900       2.426500    
 H   -1.355600      0.9821000      -2.683400    
 H  -2.0700000E-02  8.2900003E-02  -2.007700    
 H   -1.388000     -0.8130000      -2.389300    
 H    3.022800       1.866300     -0.3111000    
 H    5.362600      -2.409400      0.6233000    
 H    6.635700     -0.4606000     -3.4000000E-03
 H   -3.144500      0.2551000      -3.110600    
 H   -4.363800     -0.9104000      -3.161400    
 H   -7.301500     -9.1600001E-02   1.549800    
 H   -7.651700     -0.5957000     -9.9699996E-02
 H    3.190700      -3.808800     -0.7093000    
 H    1.675000      -2.863600     -0.8700000    
 H    1.765300      -4.226600      0.2664000    
 H    7.413400       2.805700     -0.9397000    
 H    7.305300       1.117400      -1.425800    
 H    7.456700       1.583300      0.3261000    


%chk=000072468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072468

0 1
O 2.398035 -2.549394 0.327808
O 5.573697 2.017043 -0.542065
N 1.307284 -0.126978 0.310851
N -2.894142 0.923130 2.002104
N -5.014606 0.331433 1.229499
N -5.431808 -0.182487 -1.126791
N -3.850795 -0.069801 -2.780645
N -7.128479 -0.306269 0.470345
C -0.930655 0.906407 0.509821
C -1.713740 0.517701 -0.605364
C 0.570771 1.136364 0.438798
C -3.132239 0.361023 -0.409685
C -3.686930 0.538110 0.932129
C -1.583963 1.102534 1.764431
C 2.683451 -0.190661 0.101893
C -1.022600 0.263509 -1.938860
C -4.130466 0.031557 -1.433750
C 3.305092 -1.487131 0.089983
C 3.496033 0.946560 -0.109251
C 4.886964 0.800891 -0.343331
C 4.680882 -1.619375 -0.137137
C -5.806736 -0.044440 0.196052
C 5.492430 -0.473241 -0.361711
C 2.955139 -3.898328 0.382657
C 7.016174 1.937716 -0.763582
H 0.821324 1.788993 -0.423958
H 0.890115 1.695028 1.347151
H 0.845947 -0.994538 0.588661
H -0.984003 1.417418 2.629594
H -1.252587 1.057760 -2.678340
H 0.069800 0.237379 -1.814714
H -1.310560 -0.716891 -2.361527
H 3.082656 1.957904 -0.084671
H 5.149499 -2.608413 -0.146236
H 6.563300 -0.600432 -0.538464
H -2.940138 0.123336 -3.178271
H -4.641354 -0.285794 -3.386584
H -7.455547 -0.207564 1.427685
H -7.752330 -0.574607 -0.285067
H 3.709908 -3.986674 1.188720
H 3.413892 -4.181047 -0.585345
H 2.102723 -4.560219 0.596750
H 7.348579 2.979671 -0.884556
H 7.254155 1.362161 -1.680250
H 7.533929 1.479454 0.102424


