%chk=000063364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063364

0 1
 O  -0.3166000      6.0100000E-02  -2.083700    
 O    2.803800      -2.791000      0.1412000    
 O   0.7617000      -2.029800      0.4049000    
 N   0.1702000      0.3823000      0.1984000    
 N   -1.624500      0.4306000       1.759700    
 N    1.978400      -1.848300      0.1663000    
 C    1.570700      0.5607000     -7.0600003E-02
 C   -2.113800      5.6299999E-02 -0.6055000    
 C  -0.3565000      0.4807000       1.488500    
 C  -0.6702000      0.1446000     -0.9099000    
 C   -2.531100      0.2279000      0.7144000    
 C    2.439300     -0.5253000     -8.4700003E-02
 C    2.040700       1.846100     -0.3187000    
 C   -3.045500     -0.1695000      -1.625800    
 C   0.5688000      0.5965000       2.682700    
 C   -3.899000      0.1705000       1.005500    
 C    3.793900     -0.3238000     -0.3497000    
 C    3.395300       2.047600     -0.5838000    
 C   -4.405000     -0.2250000      -1.322200    
 C   -4.832300     -5.4000001E-02 -7.7000000E-03
 C    4.271800      0.9627000     -0.5993000    
 H    1.366500       2.698400     -0.3090000    
 H   -2.733600     -0.3015000      -2.658000    
 H    1.197300       1.485400       2.583100    
 H    1.210000     -0.2866000       2.743900    
 H  -5.2000000E-03  0.6776000       3.610500    
 H   -4.246500      0.2972000       2.028100    
 H    4.509400      -1.141800     -0.3710000    
 H    3.767500       3.049200     -0.7780000    
 H   -5.130900     -0.3998000      -2.110900    
 H   -5.891200     -9.7199999E-02  0.2297000    
 H    5.326400       1.120300     -0.8058000    


%chk=000063364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063364

0 1
O -0.138879 -0.000942 -2.035401
O 2.608258 -2.871093 -0.509687
O 1.005909 -2.131474 0.934614
N 0.136739 0.426582 0.257254
N -1.697464 0.461139 1.809565
N 1.980393 -1.931717 0.110519
C 1.557254 0.568664 0.011774
C -2.115872 0.061039 -0.608405
C -0.401910 0.540185 1.564629
C -0.676887 0.143505 -0.899952
C -2.578604 0.229827 0.735876
C 2.438101 -0.537851 -0.111041
C 2.075784 1.861999 -0.211875
C -3.038479 -0.188546 -1.657925
C 0.561782 0.738593 2.705784
C -3.972648 0.150014 1.003953
C 3.798340 -0.360360 -0.442776
C 3.440250 2.054214 -0.517978
C -4.412493 -0.264341 -1.378116
C -4.877149 -0.093402 -0.042897
C 4.303199 0.940291 -0.634962
H 1.389513 2.713408 -0.161776
H -2.647613 -0.318266 -2.672367
H 1.172289 1.651552 2.587806
H 1.250598 -0.122710 2.779364
H -0.021612 0.811326 3.634332
H -4.306245 0.277528 2.037968
H 4.433239 -1.244410 -0.547460
H 3.822263 3.067063 -0.680490
H -5.127723 -0.457014 -2.184512
H -5.950018 -0.155844 0.169951
H 5.359489 1.082142 -0.883172


