%chk=000162817.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162817

0 1
 O   -5.106100      0.4712000     -3.9200000E-02
 N   0.4208000       1.255600     -0.1174000    
 N    3.220500       1.810900     -6.3400000E-02
 C    1.373400      0.1988000     -0.5310000    
 C    2.724800      0.4485000      0.1837000    
 C   0.9061000       2.631300     -0.2829000    
 C   0.9925000      -1.268900     -0.3346000    
 C    2.252100       2.799600      0.4216000    
 C  -0.9584000       1.056400     -0.1269000    
 C   0.1221000      -1.746300      0.6640000    
 C  -0.6411000     -0.7991000       1.548600    
 C   -1.536200      7.4199997E-02  0.7052000    
 C    4.520200       2.009000      0.5779000    
 C    1.614500      -2.211900      -1.180000    
 C   -1.826700       1.835500     -0.9139000    
 C  -9.8600000E-02  -3.128800      0.7985000    
 C   -2.926800     -0.1199000      0.7272000    
 C    1.385600      -3.580700      -1.039800    
 C   -3.210000       1.640800     -0.8860000    
 C   0.5310000      -4.039700     -4.6500001E-02
 C   -3.759800      0.6636000     -6.5399997E-02
 H    1.518900      0.3378000      -1.612900    
 H    2.617000      0.2689000       1.263300    
 H    3.468400     -0.2698000     -0.1852000    
 H   0.2093000       3.353600      0.1614000    
 H    1.002300       2.868600      -1.350100    
 H    2.619600       3.813700      0.2229000    
 H    2.114000       2.707700       1.507500    
 H   -1.237600      -1.348900       2.287700    
 H   5.3399999E-02 -0.1873000       2.138200    
 H    5.255200       1.297900      0.1851000    
 H    4.469200       1.887000       1.666000    
 H    4.906900       3.011000      0.3609000    
 H    2.299800      -1.878300      -1.957000    
 H   -1.435300       2.603700      -1.577200    
 H  -0.7775000      -3.505000       1.560500    
 H   -3.353600     -0.8897000       1.366000    
 H    1.879300      -4.284800      -1.702800    
 H   -3.850400       2.257200      -1.511100    
 H   0.3489000      -5.104000      6.7800000E-02
 H   -5.310600     -0.2467000      0.5844000    


%chk=000162817-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162817

0 1
O -5.218354 0.522942 -0.132090
N 0.414064 1.244484 0.005761
N 3.251594 1.798437 -0.026434
C 1.377967 0.205003 -0.473960
C 2.738398 0.438407 0.243597
C 0.924231 2.602243 -0.286691
C 0.980988 -1.265284 -0.314707
C 2.278075 2.823206 0.408912
C -0.999060 1.038449 -0.084756
C 0.127140 -1.770134 0.707077
C -0.669700 -0.818641 1.593966
C -1.591246 0.029604 0.734328
C 4.598217 2.015728 0.533954
C 1.601717 -2.182634 -1.200700
C -1.845968 1.859939 -0.876863
C -0.057709 -3.169545 0.824166
C -2.988182 -0.161260 0.715509
C 1.413249 -3.575374 -1.076913
C -3.244486 1.682829 -0.876289
C 0.583072 -4.075299 -0.049154
C -3.814522 0.663278 -0.085815
H 1.569941 0.382973 -1.560704
H 2.591981 0.249864 1.338994
H 3.471974 -0.297208 -0.132737
H 0.197033 3.341020 0.092828
H 1.056774 2.768458 -1.382487
H 2.669037 3.822793 0.139280
H 2.119566 2.800000 1.518038
H -1.246276 -1.393514 2.339854
H 0.018732 -0.138894 2.134813
H 5.297655 1.265484 0.123473
H 4.631138 1.944430 1.650769
H 4.963490 3.017720 0.244576
H 2.243602 -1.794226 -2.002089
H -1.412393 2.639690 -1.511492
H -0.721704 -3.550684 1.609817
H -3.431776 -0.945693 1.344599
H 1.903243 -4.260524 -1.777411
H -3.898686 2.311681 -1.487400
H 0.426177 -5.153981 0.062507
H -5.511893 -0.223069 0.446977


