%chk=000159111.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159111

0 1
 O   0.7342000      -2.599500      0.1076000    
 N   2.8899999E-02 -0.3904000      7.9999998E-04
 N    2.301700     -0.8774000      0.1861000    
 N  -0.9292000       1.665100      0.1469000    
 N    1.474700       1.476200      9.4499998E-02
 C    2.597900      0.5459000     -0.1354000    
 C   0.2853000      0.9912000      8.3400004E-02
 C   -1.376600     -0.5604000     -3.5900000E-02
 C   0.9928000      -1.395700      7.4800000E-02
 C   -1.952000      0.7235000      5.2299999E-02
 C    3.759000       1.097600      0.7106000    
 C    2.958000      0.6692000      -1.628200    
 C    3.411800      -1.804100      0.4008000    
 C   -2.148200      -1.702900     -0.1263000    
 C   -1.160400       3.085400      0.2119000    
 C   -3.324000      0.8826000      4.3400001E-02
 C   -3.536000      -1.542200     -0.1353000    
 C   -4.117800     -0.2642000     -5.2000001E-02
 H    3.544600      0.9919000       1.780500    
 H    3.920400       2.164200      0.5142000    
 H    4.702100      0.5814000      0.5021000    
 H    3.149600       1.712200      -1.905600    
 H    2.140600      0.3073000      -2.262700    
 H    3.850900      8.6499996E-02  -1.878100    
 H    4.082000      -1.774300     -0.4619000    
 H    3.058800      -2.830400      0.5311000    
 H    3.951900      -1.514500       1.305900    
 H   -1.721300      -2.695300     -0.1953000    
 H   -1.638800       3.442300     -0.7062000    
 H  -0.2208000       3.634300      0.3333000    
 H   -1.801100       3.338100       1.063400    
 H   -3.786000       1.861400      0.1100000    
 H   -4.177700      -2.416600     -0.2082000    
 H   -5.200500     -0.1688000     -6.0800001E-02


%chk=000159111-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159111

0 1
O 0.741826 -2.613653 0.172252
N -0.006617 -0.407785 -0.063238
N 2.294003 -0.834756 0.184612
N -0.949291 1.642327 0.096651
N 1.471420 1.527504 0.085102
C 2.622261 0.622134 -0.151435
C 0.287710 0.982540 0.039144
C -1.414331 -0.604977 -0.062301
C 1.018502 -1.380518 0.090671
C -1.996932 0.696030 0.031816
C 3.777851 1.113091 0.746990
C 3.011472 0.707760 -1.655014
C 3.407453 -1.778378 0.396700
C -2.203167 -1.761641 -0.131773
C -1.086551 3.091483 0.195111
C -3.390326 0.869641 0.047391
C -3.612460 -1.585802 -0.114647
C -4.194083 -0.298097 -0.029282
H 3.514153 0.993362 1.811651
H 3.924999 2.187426 0.549220
H 4.722969 0.583453 0.539511
H 3.246759 1.754487 -1.912462
H 2.170904 0.372272 -2.287761
H 3.895185 0.082780 -1.878108
H 4.140366 -1.721835 -0.429217
H 2.987787 -2.795545 0.430820
H 3.926019 -1.571617 1.349089
H -1.737370 -2.747322 -0.185806
H -1.650435 3.494327 -0.666489
H -0.073839 3.524748 0.199041
H -1.604369 3.377775 1.129163
H -3.843067 1.863333 0.119911
H -4.259314 -2.467838 -0.166632
H -5.284684 -0.197113 -0.018984


