%chk=000178134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178134

0 1
 O    4.843200      -1.009100     -0.4150000    
 O   -3.578900      -1.658300     -0.1235000    
 N   0.5742000      0.4637000      0.3244000    
 N   -3.125100      0.6107000     -0.3782000    
 C  -0.8571000      0.5515000      0.5993000    
 C    1.285100     -0.6983000      0.2618000    
 C    1.389500       1.532600      9.5899999E-02
 C    2.593100     -0.3671000     -1.5300000E-02
 C   -1.712500      0.4991000     -0.6618000    
 C    2.659000       1.044200     -0.1205000    
 C   0.6578000      -2.021600      0.4701000    
 C   0.8998000       2.926800      0.1016000    
 C    3.667500      -1.306700     -0.1645000    
 C   -3.936900     -0.4834000     -0.1329000    
 C   -5.358700     -8.4100001E-02  0.1587000    
 H   -1.042300       1.477600       1.155100    
 H   -1.122900     -0.2590000       1.287400    
 H   -1.458100       1.324000      -1.335900    
 H   -1.536000     -0.4323000      -1.210800    
 H    3.535700       1.642100     -0.3306000    
 H  -0.2714000      -2.121800     -9.8899998E-02
 H    1.304000      -2.843200      0.1503000    
 H   0.4318000      -2.173900       1.530700    
 H    1.698100       3.619200     -0.1867000    
 H   7.7500001E-02   3.065600     -0.6065000    
 H   0.5589000       3.218100       1.100200    
 H   -3.526500       1.543300     -0.3433000    
 H    3.412900      -2.370900     -3.7999999E-02
 H   -6.001700     -0.9684000      0.1348000    
 H   -5.412500      0.3736000       1.150200    
 H   -5.715100      0.6275000     -0.5915000    


%chk=000178134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178134

0 1
O 4.745126 -1.237334 -0.543870
O -3.097418 -1.569556 0.071666
N 0.539170 0.566170 0.381638
N -3.160650 0.688966 -0.441499
C -0.893378 0.774304 0.628255
C 1.159872 -0.683180 0.304025
C 1.471731 1.594129 0.069311
C 2.513143 -0.449934 -0.051473
C -1.713521 0.738835 -0.694578
C 2.690096 0.980556 -0.194858
C 0.434960 -1.963986 0.618525
C 1.097208 3.049418 0.085574
C 3.536902 -1.469547 -0.233269
C -3.772010 -0.502577 -0.075449
C -5.280847 -0.448995 0.129416
H -1.040709 1.738258 1.145359
H -1.266603 -0.026986 1.286259
H -1.485580 1.619292 -1.320181
H -1.427345 -0.168270 -1.256054
H 3.624502 1.471489 -0.458796
H -0.584386 -1.998225 0.191864
H 0.998352 -2.824554 0.223017
H 0.332557 -2.115810 1.711762
H 1.977686 3.650571 -0.193575
H 0.289649 3.295669 -0.632380
H 0.768435 3.391660 1.086904
H -3.722284 1.533493 -0.550579
H 3.193832 -2.524968 -0.079096
H -5.762189 -1.165240 -0.558484
H -5.520262 -0.774319 1.156321
H -5.713637 0.552173 -0.039156


