%chk=000079473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079473

0 1
 O   -2.243500       2.301800     -0.4951000    
 N   -2.979000      -1.083300     -0.3250000    
 N    3.474800     -0.3992000     -0.1880000    
 C   -1.175300      0.3832000      0.4665000    
 C    1.225900      0.2918000      0.5270000    
 C   -2.494300     -0.2457000      0.7726000    
 C    2.492600     -0.4341000      0.8950000    
 C  -2.3000001E-03 -0.2900000      0.8082000    
 C   -1.107900       1.631400     -0.1529000    
 C    1.305400       1.532700     -8.8799998E-02
 C   0.1325000       2.206100     -0.4303000    
 C   -4.270300      -1.677100      1.8300001E-02
 C   -2.003700      -2.126000     -0.6402000    
 C    2.932600      -1.031100      -1.390300    
 C    4.712700      -1.060600      0.2230000    
 H   -2.411600     -0.8268000       1.702600    
 H   -3.229200      0.5392000      0.9953000    
 H    2.900700      5.7799999E-02   1.787800    
 H    2.270200      -1.472200       1.177500    
 H  -4.6799999E-02  -1.255100       1.305900    
 H    2.260400       2.005100     -0.3007000    
 H   0.1997000       3.179000     -0.9099000    
 H   -5.010000     -0.8963000      0.2281000    
 H   -4.205200      -2.334900      0.8927000    
 H   -4.662700      -2.259600     -0.8228000    
 H   -2.428200      -2.825000      -1.372000    
 H   -1.714300      -2.716000      0.2371000    
 H   -1.111800      -1.725800      -1.132100    
 H    2.087500     -0.4833000      -1.818300    
 H    2.618000      -2.065600      -1.207300    
 H    3.693200      -1.050600      -2.180300    
 H    5.467300     -0.9914000     -0.5686000    
 H    4.558600      -2.119500      0.4608000    
 H    5.138500     -0.5674000       1.104000    
 H   -2.000300       3.145600     -0.9131000    


%chk=000079473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079473

0 1
O -2.362244 2.154653 -0.344976
N -3.150908 -1.079648 -0.248444
N 3.660973 -0.384406 -0.207893
C -1.173523 0.244214 0.531392
C 1.307300 0.177009 0.459700
C -2.502638 -0.392569 0.899973
C 2.616602 -0.508309 0.836927
C 0.058892 -0.390000 0.813808
C -1.132411 1.507538 -0.116672
C 1.312305 1.426533 -0.205254
C 0.101860 2.091160 -0.490856
C -4.586571 -1.320164 -0.015410
C -2.434215 -2.291947 -0.679060
C 3.334271 -1.140463 -1.433718
C 5.008517 -0.702070 0.301873
H -2.344696 -1.096768 1.759143
H -3.197820 0.396445 1.238471
H 3.024927 -0.039136 1.755472
H 2.408544 -1.579609 1.096644
H 0.036446 -1.360421 1.328598
H 2.274288 1.859375 -0.500251
H 0.117362 3.066310 -0.996963
H -5.092750 -0.361169 0.194286
H -4.793878 -2.017898 0.837983
H -5.041081 -1.755553 -0.923823
H -2.922198 -2.711466 -1.577243
H -2.408299 -3.093117 0.107093
H -1.393079 -2.038557 -0.942219
H 2.350108 -0.821067 -1.816296
H 3.299914 -2.247814 -1.267572
H 4.091077 -0.933136 -2.211262
H 5.756944 -0.512725 -0.488590
H 5.123150 -1.766532 0.632209
H 5.246083 -0.050551 1.162238
H -2.219052 3.008958 -0.822608


