%chk=000045590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045590

0 1
 N   -3.241200     -0.2441000      0.5374000    
 N    2.271500      -1.879300     -0.5777000    
 C  -0.8692000     -0.8444000      0.9708000    
 C   0.4809000     -0.9943000      0.3907000    
 C   -1.923400     -0.4132000     -6.5300003E-02
 C    1.477200      1.6600000E-02  0.2896000    
 C   -4.217300      0.1729000     -0.4589000    
 C    2.590300     -0.5646000     -0.3215000    
 C   0.9987000      -2.148200     -0.1509000    
 C    1.539100       1.374500      0.6605000    
 C   -3.797000       1.497800      -1.089000    
 C   -5.591300      0.2878000      0.1934000    
 C    3.766900      0.1470000     -0.5813000    
 C    2.709500       2.099000      0.4068000    
 C    3.805200       1.492600     -0.2045000    
 H   -1.177900      -1.795100       1.425900    
 H  -0.8418000     -0.1143000       1.790100    
 H   -1.965800      -1.158500     -0.8699000    
 H   -1.559300      0.5232000     -0.5004000    
 H   -4.292400     -0.5856000      -1.248700    
 H   -3.535400      -1.120300      0.9680000    
 H   0.5774000      -3.136500     -0.2721000    
 H    2.888400      -2.548200      -1.017500    
 H   -4.625500       1.921500      -1.669100    
 H   -3.520200       2.240500     -0.3320000    
 H   -2.965000       1.383100      -1.790900    
 H   -5.902200     -0.6680000      0.6298000    
 H   -6.348300      0.5748000     -0.5446000    
 H   -5.596200       1.041100      0.9895000    
 H   0.6939000       1.863200       1.136700    
 H    4.620400     -0.3242000      -1.057200    
 H    2.762800       3.146700      0.6903000    
 H    4.704300       2.074000     -0.3922000    


%chk=000045590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045590

0 1
N -3.194191 -0.183395 0.423939
N 2.487255 -2.029858 -0.340048
C -0.898356 -0.999053 0.922563
C 0.523793 -1.142169 0.440102
C -1.846704 -0.398871 -0.147374
C 1.481360 -0.063875 0.242121
C -4.230010 0.330832 -0.512911
C 2.703015 -0.649997 -0.247622
C 1.176467 -2.319559 0.076194
C 1.426742 1.341823 0.442301
C -3.936610 1.797593 -0.898635
C -5.609850 0.208418 0.165665
C 3.849223 0.122074 -0.540832
C 2.565972 2.117431 0.152794
C 3.763811 1.514308 -0.335468
H -1.290966 -1.987519 1.237017
H -0.944073 -0.342698 1.813529
H -1.853164 -1.068329 -1.044582
H -1.439765 0.572676 -0.482196
H -4.251110 -0.273644 -1.457583
H -3.528787 -1.039672 0.891495
H 0.804891 -3.343104 0.084934
H 3.173125 -2.715409 -0.646790
H -4.733012 2.189646 -1.557753
H -3.887486 2.420098 0.013065
H -2.977205 1.897664 -1.437102
H -5.841408 -0.844291 0.420598
H -6.408998 0.578068 -0.501187
H -5.626105 0.801231 1.098469
H 0.514021 1.815370 0.821972
H 4.773150 -0.335678 -0.912446
H 2.538723 3.202375 0.303965
H 4.633350 2.145014 -0.552395


