%chk=000093606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093606

0 1
 O  -0.2671000     -0.6739000      0.8892000    
 O    5.508400      0.1037000      0.1585000    
 N   -3.800700      -1.383400     -0.4691000    
 N   -2.208400      0.3171000      7.4299999E-02
 C   -5.034900      0.5084000      0.3311000    
 C   -3.091800     -0.7233000      0.6495000    
 C   -4.191000     -5.6600001E-02   1.462900    
 C   -5.104600     -0.6972000     -0.6114000    
 C   -4.278700       1.700200     -0.2803000    
 C   -2.862400       1.348200     -0.7546000    
 C   -3.966500      -2.816200     -0.2511000    
 C  -0.8229000      0.1843000      0.1993000    
 C   1.7100001E-02   1.175400     -0.5677000    
 C    1.473600      0.8909000     -0.3750000    
 C    2.162600       1.490400      0.6755000    
 C    2.131500      2.8400000E-02  -1.247600    
 C    3.520300       1.225400      0.8549000    
 C    3.489200     -0.2367000      -1.068300    
 C    4.183600      0.3617000     -1.6799999E-02
 C    5.981300      -1.176600     -0.2576000    
 C    7.161700      -1.570300      0.6045000    
 H   -6.026700      0.8210000      0.6723000    
 H   -2.505000      -1.419600       1.257600    
 H   -3.817500      0.7140000       2.145500    
 H   -4.759400     -0.7931000       2.043800    
 H   -5.936100      -1.343300     -0.3014000    
 H   -5.278300     -0.4028000      -1.651500    
 H   -4.205100       2.487500      0.4813000    
 H   -4.847100       2.126800      -1.114800    
 H   -2.899900      0.9491000      -1.775600    
 H   -2.261200       2.259700     -0.7959000    
 H   -4.518900      -3.038400      0.6688000    
 H   -2.989100      -3.307300     -0.1922000    
 H   -4.498800      -3.271300      -1.093600    
 H  -0.2007000       2.189800     -0.2145000    
 H  -0.2392000       1.131100      -1.632500    
 H    1.656500       2.163200       1.362600    
 H    1.601300     -0.4400000      -2.072500    
 H    4.055900       1.693900       1.676000    
 H    3.973500     -0.8931000      -1.785200    
 H    5.214800      -1.953000     -0.1399000    
 H    6.290500      -1.122400      -1.307200    
 H    7.557500      -2.545000      0.3054000    
 H    7.961200     -0.8260000      0.5266000    
 H    6.871200      -1.615400       1.659300    


%chk=000093606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093606

0 1
O -0.527599 -1.196438 0.674055
O 5.644289 0.107608 0.380094
N -4.264782 -1.240096 -0.536238
N -2.312682 0.126184 0.001432
C -5.068456 0.690394 0.617400
C -3.307260 -0.870402 0.527170
C -4.180354 -0.143585 1.580088
C -5.489282 -0.407013 -0.402101
C -4.184261 1.796359 -0.025576
C -2.950671 1.215139 -0.774472
C -4.420719 -2.646309 -0.914654
C -0.953392 -0.145109 0.097081
C 0.000511 0.903674 -0.527636
C 1.476683 0.644259 -0.283486
C 2.284935 1.632008 0.336589
C 2.094794 -0.563719 -0.684416
C 3.663083 1.429862 0.544755
C 3.475211 -0.786003 -0.487563
C 4.264137 0.216954 0.130616
C 6.314026 -1.144796 -0.016695
C 7.782246 -1.004352 0.377325
H -5.946924 1.142666 1.109393
H -2.730231 -1.728377 0.904422
H -3.585220 0.464807 2.280579
H -4.782493 -0.873185 2.153181
H -6.346602 -0.995312 0.002992
H -5.801447 0.017693 -1.377398
H -3.845003 2.479142 0.777717
H -4.774986 2.398051 -0.743062
H -3.282254 0.799045 -1.746587
H -2.224771 2.018077 -0.975081
H -5.022015 -3.243048 -0.184968
H -3.428375 -3.119362 -1.011338
H -4.921599 -2.721274 -1.898471
H -0.261591 1.905409 -0.137088
H -0.208782 0.936286 -1.617623
H 1.830291 2.574757 0.666277
H 1.486368 -1.353665 -1.136209
H 4.286791 2.189886 1.025299
H 3.915554 -1.735406 -0.806410
H 5.837747 -2.001141 0.504321
H 6.203584 -1.293634 -1.111147
H 8.339956 -1.918255 0.102425
H 8.242562 -0.143907 -0.137798
H 7.878683 -0.848574 1.465408


