%chk=000038727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038727

0 1
 O  -0.4926000      -1.589500     -0.9696000    
 O    1.547700       2.359200      3.7099998E-02
 O    4.709200      -1.515100      0.6848000    
 O  -0.6352000       2.662800     -0.6273000    
 N   -3.074400      0.1085000     -0.2032000    
 C   -3.126100      -1.216000      0.4314000    
 C   -4.412100      0.5487000     -0.6237000    
 C   -4.041900      -1.205600       1.656500    
 C   -5.369900      0.6167000      0.5667000    
 C   -5.441300     -0.7189000       1.298200    
 C   -2.158800      9.3900003E-02  -1.343800    
 C  -0.7574000     -0.2726000     -0.9334000    
 C   0.2980000      0.4709000     -0.5310000    
 C    1.340900     -0.4607000     -0.2855000    
 C   0.8044000      -1.712300     -0.5697000    
 C    2.677100     -0.3848000      0.1446000    
 C   0.3249000       1.898000     -0.3929000    
 C    1.509500      -2.909200     -0.4558000    
 C    3.412000      -1.571900      0.2689000    
 C    2.836400      -2.810100     -2.6500000E-02
 C    1.700000       3.771600      0.2150000    
 C    3.108900       4.059900      0.6881000    
 C    5.240800     -0.2235000      0.9711000    
 H   -2.145900      -1.523100      0.8083000    
 H   -3.466900      -1.981600     -0.2781000    
 H   -4.822900     -0.1242000      -1.388000    
 H   -4.351200       1.549200      -1.068900    
 H   -3.615300     -0.5536000       2.429500    
 H   -4.100100      -2.212800       2.084600    
 H   -6.369800      0.9029000      0.2215000    
 H   -5.036200       1.397000       1.262500    
 H   -5.934400      -1.460900      0.6583000    
 H   -6.049000     -0.6199000       2.204400    
 H   -2.141200       1.076400      -1.829500    
 H   -2.501000     -0.6149000      -2.110800    
 H    3.091700      0.5883000      0.3648000    
 H    1.056000      -3.865700     -0.6867000    
 H    3.425900      -3.718400      7.7200003E-02
 H    1.516000       4.278900     -0.7383000    
 H   0.9776000       4.123100      0.9596000    
 H    3.260800       5.132800      0.8347000    
 H    3.312100       3.541100       1.630900    
 H    3.841600       3.694300     -3.9000001E-02
 H    4.717800      0.2528000       1.807500    
 H    5.265300      0.4107000      7.8299999E-02
 H    6.279600     -0.3656000       1.287100    


%chk=000038727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038727

0 1
O -0.428524 -1.736633 -0.897740
O 1.527729 2.402622 -0.068981
O 4.869373 -1.511224 0.825801
O -0.657364 2.627031 -0.853518
N -3.106621 -0.135082 -0.186944
C -3.551651 -1.527261 0.073346
C -4.246273 0.813250 -0.296423
C -4.385750 -1.607022 1.367827
C -5.094724 0.795896 0.990914
C -5.586409 -0.635003 1.307704
C -2.172167 -0.033437 -1.340075
C -0.765389 -0.370307 -0.944118
C 0.327442 0.413881 -0.561275
C 1.426582 -0.498632 -0.243553
C 0.920174 -1.806476 -0.461285
C 2.765031 -0.339318 0.194124
C 0.304523 1.881194 -0.524497
C 1.666045 -2.978146 -0.271007
C 3.531843 -1.510654 0.392435
C 2.993781 -2.813673 0.164177
C 1.602114 3.892543 0.000140
C 3.003416 4.241560 0.492436
C 5.491394 -0.212618 1.086491
H -2.660143 -2.173697 0.152330
H -4.164834 -1.913759 -0.785681
H -4.904628 0.558832 -1.170123
H -3.835428 1.824653 -0.468766
H -3.737509 -1.341931 2.225180
H -4.731479 -2.648369 1.516373
H -5.951042 1.487860 0.873105
H -4.473717 1.167965 1.828495
H -6.288232 -0.966879 0.514141
H -6.146729 -0.650186 2.261863
H -2.163277 1.013084 -1.686522
H -2.481609 -0.686768 -2.192656
H 3.158572 0.663173 0.365695
H 1.239215 -3.968288 -0.450546
H 3.642883 -3.676355 0.338224
H 1.392569 4.300514 -1.005195
H 0.811925 4.249160 0.685368
H 3.112057 5.339214 0.562891
H 3.189489 3.811232 1.491747
H 3.771986 3.862436 -0.203401
H 4.959434 0.334928 1.889170
H 5.519785 0.411392 0.171598
H 6.516735 -0.443906 1.410632


