%chk=000041891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041891

0 1
 O    4.321300     -0.2792000      0.5597000    
 N   0.3513000       1.154700      0.2011000    
 N   0.6501000      -2.346700     -0.1583000    
 C  -0.2261000     -8.5500002E-02  7.8900002E-02
 C    1.716400       1.034900      0.1792000    
 C    2.020600     -0.3012000      4.0199999E-02
 C   0.7951000      -1.009600     -2.3200000E-02
 C  -0.3682000       2.405400      0.3339000    
 C   -1.654700     -0.2864000      6.8999998E-02
 C    2.606600       2.210900      0.2930000    
 C    3.354500     -0.8305000     -2.3800001E-02
 C  -0.6639000       3.044200      -1.012300    
 C   -2.337300     -0.5065000       1.265300    
 C   -2.353200     -0.2616000      -1.138000    
 C    3.656700      -2.107400     -0.8183000    
 C   -3.718300     -0.7018000       1.254700    
 C   -3.734300     -0.4568000      -1.148800    
 C   -4.416800     -0.6769000      4.7699999E-02
 H   -1.297900       2.224000      0.8821000    
 H   0.2203000       3.082600      0.9616000    
 H    3.592600       2.016100     -0.1394000    
 H    2.215900       3.083200     -0.2385000    
 H    2.746500       2.481600       1.344500    
 H   0.2539000       3.241800      -1.574900    
 H   -1.184400       3.996400     -0.8697000    
 H   -1.298300       2.405600      -1.633200    
 H    1.421800      -3.002300     -0.1778000    
 H  -0.2642000      -2.786900     -0.2088000    
 H   -1.807300     -0.5286000       2.214600    
 H   -1.836000     -9.4999999E-02  -2.080000    
 H    3.005100      -2.183300      -1.692300    
 H    3.547100      -2.979300     -0.1698000    
 H    4.689300      -2.061800      -1.178800    
 H   -4.249900     -0.8731000       2.186200    
 H   -4.278200     -0.4383000      -2.088700    
 H   -5.492100     -0.8291000      3.9299998E-02


%chk=000041891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041891

0 1
O 4.481429 -0.090107 -0.038064
N 0.390525 1.193857 0.398991
N 0.574877 -2.255669 -0.710726
C -0.236970 -0.021843 -0.004210
C 1.765817 1.070131 0.324457
C 2.072981 -0.255417 -0.115842
C 0.794020 -0.930959 -0.323955
C -0.311748 2.487502 0.541325
C -1.686369 -0.269621 0.029113
C 2.693524 2.212217 0.630087
C 3.434684 -0.766641 -0.323360
C -0.602574 3.150394 -0.822841
C -2.495052 0.067141 1.156977
C -2.324954 -0.911858 -1.074913
C 3.624728 -2.168144 -0.917758
C -3.879163 -0.205593 1.168433
C -3.706373 -1.200921 -1.053418
C -4.495080 -0.842915 0.065054
H -1.257345 2.323199 1.081955
H 0.316302 3.145856 1.164812
H 3.727203 1.862411 0.490189
H 2.518450 3.083343 -0.031283
H 2.584675 2.560731 1.675991
H 0.331028 3.340177 -1.381022
H -1.121106 4.114878 -0.673344
H -1.248488 2.501937 -1.439441
H 1.330470 -2.931330 -0.680613
H -0.377822 -2.614229 -0.678743
H -2.023783 0.499245 2.047572
H -1.733263 -1.145782 -1.968109
H 3.024808 -2.310544 -1.835526
H 3.341516 -2.947770 -0.181097
H 4.691749 -2.301247 -1.154431
H -4.475363 0.060909 2.048820
H -4.170589 -1.689989 -1.917661
H -5.568743 -1.059751 0.078980


