%chk=000150537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150537

0 1
 O   -1.543800       1.156800      0.6826000    
 N   0.9529000      0.6383000      7.0699997E-02
 N   -3.033000     -0.2104000     -0.4530000    
 N   -6.438600       1.155200      0.1863000    
 N    3.833600      -2.400900     -0.1073000    
 C    1.499100      -1.703200     -1.4400000E-02
 C   0.5683000     -0.6524000      4.4900000E-02
 C    3.261900     -3.1700000E-02 -2.0099999E-02
 C    2.857000      -1.370000     -4.6700001E-02
 C  -0.7851000     -0.9777000      7.7200003E-02
 C    2.262100      0.9539000      3.9500002E-02
 C   -4.128100      0.7318000     -0.4937000    
 C   -5.356800      0.1794000      0.2139000    
 C    4.619500      0.3319000     -5.1300000E-02
 C    1.064000      -3.039800     -3.9999999E-02
 C   -1.798800      6.9700003E-02  0.1402000    
 C   -1.221100      -2.304800      5.2099999E-02
 C    4.989700       1.673100     -2.3499999E-02
 C    2.658800       2.288200      6.6500001E-02
 C  -0.2949000      -3.338200     -6.6000000E-03
 C    4.007000       2.653000      3.5399999E-02
 C    6.429800       2.056000     -5.8300000E-02
 C   -7.612100      0.6455000      0.8986000    
 C   -6.791700       1.496100      -1.193300    
 H   -3.818500       1.685500     -5.2400000E-02
 H   -4.305000      0.8939000      -1.561000    
 H   -5.658800     -0.7709000     -0.2469000    
 H   -5.088300     -4.6799999E-02   1.254100    
 H    5.420400     -0.3987000     -9.9799998E-02
 H    1.741100      -3.886000     -8.3300002E-02
 H   -2.271000      -2.576500      0.1134000    
 H    1.907300       3.074400      0.1122000    
 H   -3.166000      -1.075100     -0.9669000    
 H  -0.6281000      -4.371500     -1.7899999E-02
 H    4.270900       3.707000      5.6100000E-02
 H    4.820700      -2.197100     -0.1273000    
 H    3.574900      -3.375100     -0.1310000    
 H    6.582700       3.081100      0.2960000    
 H    7.021600       1.400500      0.5897000    
 H    6.813600       1.984400      -1.080900    
 H   -7.360200      0.4156000       1.940000    
 H   -8.017000     -0.2605000      0.4330000    
 H   -8.403800       1.402400      0.9289000    
 H   -6.980100      0.6093000      -1.809300    
 H   -6.024700       2.113400      -1.671000    
 H   -7.699400       2.111900      -1.212600    


%chk=000150537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000150537

0 1
O -3.367827 -2.018198 1.434953
N 0.264586 -0.073369 0.260625
N -2.334959 -0.011730 0.838775
N -5.706129 1.452571 -0.166275
N 3.857916 -2.328738 -0.101978
C 1.463892 -2.235925 0.416486
C 0.258420 -1.422056 0.525923
C 2.690851 -0.185885 -0.262432
C 2.692759 -1.597321 0.015030
C -0.984816 -2.063836 0.928653
C 1.436227 0.525476 -0.119679
C -3.562715 0.781201 0.961084
C -4.494709 0.608065 -0.267385
C 3.859520 0.544788 -0.669622
C 1.392104 -3.637854 0.709650
C -2.326446 -1.361034 1.085342
C -0.990202 -3.435607 1.199649
C 3.824819 1.916549 -0.930301
C 1.417677 1.937277 -0.392205
C 0.189758 -4.227691 1.094404
C 2.569541 2.608685 -0.782998
C 5.061660 2.683955 -1.357440
C -6.855572 0.905560 -0.913619
C -5.458553 2.868791 -0.496553
H -4.123714 0.461271 1.856751
H -3.275297 1.840535 1.088904
H -3.913919 0.812233 -1.203511
H -4.802411 -0.452022 -0.293247
H 4.823121 0.032323 -0.787691
H 2.282007 -4.275176 0.638037
H -1.948356 -3.875231 1.497678
H 0.461917 2.458800 -0.279569
H -1.409325 0.387828 0.550722
H 0.147146 -5.298933 1.316385
H 2.532261 3.686079 -0.985742
H 4.729241 -1.887811 -0.378871
H 3.875686 -3.325464 0.088067
H 5.307795 3.481960 -0.631296
H 5.942836 2.025281 -1.444793
H 4.909296 3.175954 -2.336768
H -7.063315 -0.123558 -0.572579
H -6.697658 0.878806 -2.022819
H -7.753506 1.519553 -0.715409
H -5.163344 3.025370 -1.567188
H -4.654768 3.278389 0.139803
H -6.371495 3.461137 -0.304152


