%chk=000038359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038359

0 1
 O   -2.660500      -1.028200      0.5925000    
 N   -7.631100       1.100400     -0.7486000    
 C    3.436200      0.3381000      0.1600000    
 C    4.764500     -0.3358000     -0.1956000    
 C    2.231900     -0.6009000      6.1200000E-02
 C    5.977200      0.5819000     -2.5599999E-02
 C   0.9299000      0.1312000      0.3968000    
 C    7.280800     -0.1626000     -0.3234000    
 C  -0.2729000     -0.8144000      0.3277000    
 C    8.496700      0.7405000     -0.1174000    
 C   -1.577200     -0.1149000      0.6903000    
 C    9.795300     -5.4000001E-03 -0.3800000    
 C   -3.884000     -0.5047000      0.2628000    
 C   -4.206900      0.8005000      0.6342000    
 C   -4.805600      -1.276800     -0.4445000    
 C   -5.451300       1.333500      0.2985000    
 C   -6.050100     -0.7438000     -0.7802000    
 C   -6.372900      0.5614000     -0.4088000    
 H    3.284100       1.197200     -0.5051000    
 H    3.497900      0.7355000       1.180800    
 H    4.892400      -1.221500      0.4395000    
 H    4.721000     -0.6935000      -1.231700    
 H    2.369900      -1.444900      0.7477000    
 H    2.171000      -1.014200     -0.9527000    
 H    6.001400      0.9675000       1.000900    
 H    5.880800       1.445700     -0.6941000    
 H   0.7839000      0.9638000     -0.3018000    
 H   0.9989000      0.5608000       1.403500    
 H    7.266300     -0.5322000      -1.355900    
 H    7.361000      -1.038300      0.3323000    
 H  -0.3586000      -1.241400     -0.6795000    
 H  -0.1232000      -1.667000       1.001900    
 H    8.506000       1.125200      0.9090000    
 H    8.435200       1.605700     -0.7877000    
 H   -1.522800      0.2646000       1.717400    
 H   -1.698900      0.7302000      9.9999997E-05
 H    9.832400     -0.3781000      -1.408600    
 H    9.902600     -0.8576000      0.2988000    
 H    10.65150      0.6593000     -0.2284000    
 H   -3.529900       1.424900       1.209500    
 H   -4.559100      -2.293900     -0.7366000    
 H   -5.693900       2.349700      0.5987000    
 H   -6.759600      -1.355500      -1.331600    
 H   -8.299900      0.5409000      -1.260900    
 H   -7.866000       2.046500     -0.4792000    


%chk=000038359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038359

0 1
O -2.662416 -0.804847 -0.307477
N -8.093301 0.729767 0.216987
C 3.556566 0.409246 0.061396
C 4.886066 -0.342725 -0.173190
C 2.309300 -0.454632 -0.230083
C 6.137503 0.512441 0.127770
C 0.976682 0.292424 0.002849
C 7.465331 -0.243311 -0.104548
C -0.258354 -0.594924 -0.272630
C 8.718272 0.609276 0.199774
C -1.576065 0.151571 -0.050492
C 10.039477 -0.155931 -0.030842
C -3.987437 -0.340293 -0.154218
C -4.348189 0.977226 0.216367
C -5.004752 -1.294508 -0.398787
C -5.711215 1.330457 0.339313
C -6.359957 -0.942059 -0.276153
C -6.740322 0.381466 0.096253
H 3.532127 1.317959 -0.576209
H 3.518331 0.766042 1.112152
H 4.906185 -1.255252 0.459064
H 4.927034 -0.694249 -1.225555
H 2.334828 -1.361879 0.409034
H 2.348134 -0.813431 -1.279740
H 6.096244 0.864629 1.180005
H 6.119760 1.424473 -0.505403
H 0.944439 1.192129 -0.647101
H 0.944115 0.661569 1.049502
H 7.509182 -0.593993 -1.157166
H 7.483233 -1.156438 0.527025
H -0.231619 -0.969494 -1.314111
H -0.239787 -1.483673 0.387387
H 8.672185 0.961787 1.250613
H 8.701698 1.519892 -0.433718
H -1.645691 0.529339 0.992742
H -1.663429 1.016823 -0.742870
H 10.121996 -0.495846 -1.080636
H 10.096357 -1.051940 0.615978
H 10.919241 0.476479 0.189738
H -3.586649 1.738121 0.412336
H -4.712420 -2.310168 -0.684105
H -5.975090 2.355779 0.627234
H -7.133440 -1.695709 -0.469575
H -8.822761 0.045324 0.045662
H -8.366998 1.670482 0.481626


