%chk=000039030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039030

0 1
 O   -1.911300       1.395400       1.399100    
 O   -3.357800       2.040600     -0.2235000    
 N   -4.661700     -0.3768000      6.7199998E-02
 C    2.720800       1.980400     -0.2248000    
 C    4.001200       1.362000      0.3335000    
 C    2.047400       1.137600      -1.307400    
 C    3.801300      5.7100002E-02   1.102100    
 C    1.228800     -9.9999997E-05 -0.7486000    
 C    3.304700      -1.100900      0.2370000    
 C    1.819400      -1.051500     -2.3300000E-02
 C  -0.1596000     -1.3300000E-02 -0.9674000    
 C  -0.9533000      -1.048200     -0.4741000    
 C    1.006400      -2.089000      0.4650000    
 C   -2.425100      -1.040100     -0.7150000    
 C  -0.3700000      -2.086400      0.2423000    
 C   -3.231700     -0.3191000      0.3814000    
 C   -2.859500       1.152300      0.4566000    
 H    2.992000       2.947000     -0.6684000    
 H    2.020200       2.196100      0.5915000    
 H    2.783800      0.7452000      -2.019300    
 H    1.394500       1.799300      -1.891200    
 H    4.463900       2.090000       1.011700    
 H    4.718400       1.202700     -0.4814000    
 H    3.129900      0.2216000       1.953900    
 H    4.775100     -0.2270000       1.521000    
 H    3.548800      -2.037100      0.7556000    
 H    3.843800      -1.142000     -0.7174000    
 H  -0.6213000      0.7944000      -1.532000    
 H    1.442600      -2.911200       1.027700    
 H   -2.778900      -2.076000     -0.8117000    
 H   -2.622900     -0.5773000      -1.692600    
 H  -0.9740000      -2.899900      0.6352000    
 H   -3.069100     -0.7825000       1.361400    
 H   -5.196500      2.7899999E-02  0.8352000    
 H   -4.956400      -1.350300     -5.0000002E-04
 H   -1.680600       2.347500       1.448300    


%chk=000039030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039030

0 1
O -3.581575 1.756151 1.663030
O -2.622772 1.961763 -0.439998
N -4.661233 -0.566216 0.353840
C 2.907991 1.970351 -0.259054
C 4.188693 1.306888 0.299752
C 2.167478 1.135167 -1.344069
C 3.973794 -0.028458 1.050285
C 1.315382 -0.003585 -0.797530
C 3.398981 -1.174716 0.168526
C 1.898743 -1.092015 -0.081277
C -0.086999 0.020895 -0.995108
C -0.938257 -0.999882 -0.503144
C 1.048710 -2.114003 0.408150
C -2.446054 -0.945424 -0.712652
C -0.347736 -2.075456 0.204468
C -3.210403 -0.299089 0.471824
C -3.069567 1.228448 0.463995
H 3.191844 2.944290 -0.705992
H 2.205159 2.194083 0.567892
H 2.926441 0.739831 -2.052774
H 1.516643 1.811449 -1.929116
H 4.692651 2.022119 0.980978
H 4.892183 1.130075 -0.541773
H 3.306198 0.130817 1.920215
H 4.951698 -0.357843 1.455748
H 3.622649 -2.144259 0.652727
H 3.947781 -1.173530 -0.797351
H -0.536120 0.862691 -1.535550
H 1.492312 -2.957080 0.952660
H -2.836335 -1.976774 -0.825272
H -2.703540 -0.391234 -1.631961
H -0.977641 -2.889337 0.586599
H -2.765671 -0.667295 1.425962
H -5.220748 -0.212656 1.134769
H -4.888010 -1.528239 0.088889
H -3.539372 2.750473 1.629411


