%chk=000112842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112842

0 1
 O  -0.9219000      0.2812000      0.9230000    
 O  -0.4163000     -0.7058000      -1.139500    
 N   -7.448400     -0.2044000     -0.6965000    
 C    4.194700      0.3501000     -0.2747000    
 C    3.664200      -1.022400      0.1613000    
 C    3.334600       1.478900      0.3094000    
 C    1.336400     -6.6000000E-02  0.3842000    
 C    2.189100      -1.195200     -0.1943000    
 C    1.859200       1.305200     -4.4700000E-02
 C    5.656500      0.5183000      0.1358000    
 C    6.542100     -0.5266000     -0.5339000    
 C  -8.3600000E-02 -0.2171000     -6.7900002E-02
 C    7.992700     -0.3755000     -0.1049000    
 C   -2.274200      0.1816000      0.5876000    
 C   -2.960500     -0.9596000      0.9399000    
 C   -2.869500       1.227400     -8.2500003E-02
 C   -4.310900      -1.060200      0.6051000    
 C   -4.220000       1.127000     -0.4172000    
 C   -4.940500     -1.6799999E-02 -7.3399998E-02
 C   -6.323600     -0.1202000     -0.4170000    
 H    4.131300      0.4116000      -1.370000    
 H    3.795100      -1.151700       1.243100    
 H    4.206200      -1.836100     -0.3293000    
 H    3.683500       2.448300     -6.6299997E-02
 H    3.442500       1.504100       1.401400    
 H    1.367200     -0.1495000       1.478800    
 H    2.091600      -1.229900      -1.287400    
 H    1.832500      -2.163500      0.1783000    
 H    1.273800       2.098900      0.4357000    
 H    1.726700       1.438000      -1.126600    
 H    5.753400      0.4446000       1.226400    
 H    6.004200       1.520200     -0.1461000    
 H    6.474300     -0.4365000      -1.624000    
 H    6.239600      -1.543000     -0.2680000    
 H    8.380900      0.6117000     -0.3753000    
 H    8.098100     -0.5019000      0.9774000    
 H    8.614600      -1.130300     -0.5967000    
 H   -2.470300      -1.771200       1.468500    
 H   -2.308500       2.117600     -0.3495000    
 H   -4.859000      -1.958200      0.8799000    
 H   -4.696800       1.948800     -0.9463000    


%chk=000112842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112842

0 1
O -1.013570 0.267579 0.449161
O -0.341655 -1.134234 -1.327725
N -7.880449 0.074834 0.316657
C 4.329580 0.090502 -0.430801
C 3.680054 -0.824922 0.638665
C 3.428817 1.328291 -0.676280
C 1.346223 0.034922 0.041885
C 2.231714 -1.221490 0.273951
C 1.981551 0.944545 -1.055060
C 5.767993 0.523584 -0.051478
C 6.793282 -0.630734 0.044865
C -0.049673 -0.371616 -0.385387
C 8.228892 -0.127015 0.308888
C -2.424138 0.145160 0.318232
C -3.106030 -0.583204 -0.688566
C -3.136425 0.850579 1.318042
C -4.515207 -0.592884 -0.677711
C -4.540247 0.834119 1.321102
C -5.245478 0.109212 0.318694
C -6.684178 0.089588 0.317035
H 4.382880 -0.484213 -1.382861
H 3.688127 -0.294569 1.614878
H 4.278930 -1.745574 0.771945
H 3.863966 1.954253 -1.480237
H 3.416786 1.954016 0.241511
H 1.268306 0.611798 0.981895
H 2.226869 -1.832073 -0.649993
H 1.795657 -1.845809 1.077451
H 1.367958 1.855709 -1.191142
H 1.974923 0.394563 -2.016625
H 5.740852 1.069100 0.916413
H 6.129667 1.253029 -0.806899
H 6.773550 -1.214559 -0.898466
H 6.500181 -1.330374 0.851926
H 8.567165 0.548466 -0.499539
H 8.283234 0.436221 1.259769
H 8.946916 -0.965224 0.371701
H -2.549931 -1.126508 -1.452185
H -2.574045 1.400752 2.077532
H -5.055686 -1.150419 -1.448868
H -5.096359 1.376499 2.091424


