%chk=000093591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093591

0 1
 O   0.8592000     -0.5710000       1.732000    
 N    2.268100      0.3114000      0.1076000    
 C   -1.396500      0.6060000      0.6521000    
 C  -0.1764000      0.2632000     -0.2230000    
 C   -2.042200     -0.6460000       1.268800    
 C   -1.046600      -2.127400     -0.5224000    
 C  -0.4218000     -0.8962000      -1.194800    
 C   -2.314600      -1.748800      0.2493000    
 C   -2.426900       1.414200     -0.1464000    
 C    1.022900     -3.9000001E-02  0.6309000    
 C   -1.350900      -3.208700      -1.559100    
 C   -3.585900       1.830600      0.7525000    
 C   -1.767600       2.633400     -0.7816000    
 C    3.511600      7.5000003E-02  0.8297000    
 C    2.415900      0.9405000      -1.202500    
 C    4.086600      -1.292000      0.5000000    
 C    2.365000       2.455000      -1.093000    
 H   -1.058700       1.237500       1.487400    
 H   6.7500003E-02   1.137700     -0.8099000    
 H   -2.963500     -0.4166000       1.810700    
 H   -1.387500      -1.059500       2.043900    
 H  -0.3212000      -2.547100      0.1866000    
 H   -1.084500     -0.5483000      -1.997900    
 H   0.5096000      -1.210300      -1.680400    
 H   -2.703000      -2.630400      0.7740000    
 H   -3.101600      -1.430500     -0.4447000    
 H   -2.845700      0.8126000     -0.9621000    
 H  -0.4398000      -3.506400      -2.088700    
 H   -1.765600      -4.101100      -1.078800    
 H   -2.074900      -2.856600      -2.301800    
 H   -4.241800      0.9906000      0.9981000    
 H   -4.222100       2.566400      0.2471000    
 H   -3.234400       2.287000       1.684100    
 H   -1.215900       2.382100      -1.692700    
 H   -2.526000       3.359200      -1.098300    
 H   -1.100100       3.150800     -8.4100001E-02
 H    4.230900      0.8687000      0.6019000    
 H    3.303400      0.1188000       1.904600    
 H    3.382200      0.6408000      -1.626100    
 H    1.671500      0.5929000      -1.919500    
 H    3.377600      -2.088100      0.7505000    
 H    4.320000      -1.378100     -0.5661000    
 H    5.007500      -1.463700       1.065800    
 H    1.444500       2.810900     -0.6225000    
 H    3.200100       2.830600     -0.4923000    
 H    2.438300       2.908100      -2.086700    


%chk=000093591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093591

0 1
O 1.029844 -0.472882 1.763238
N 2.320051 0.313530 0.010848
C -1.420603 0.660146 0.653026
C -0.184594 0.307790 -0.246262
C -1.991982 -0.620516 1.324085
C -1.048510 -2.143339 -0.487181
C -0.484609 -0.893662 -1.204597
C -2.310507 -1.748713 0.317384
C -2.472206 1.496453 -0.162908
C 1.081415 0.024695 0.588553
C -1.338795 -3.273077 -1.497830
C -3.839017 1.609746 0.556063
C -1.947203 2.927106 -0.456029
C 3.540572 0.019962 0.804883
C 2.528922 0.920075 -1.323559
C 4.077164 -1.405447 0.554384
C 2.651511 2.460695 -1.281578
H -1.059110 1.317167 1.472817
H 0.025224 1.185869 -0.884127
H -2.890303 -0.368448 1.916825
H -1.227265 -0.984506 2.033114
H -0.288147 -2.501336 0.237964
H -1.226518 -0.562476 -1.961276
H 0.433157 -1.169577 -1.762980
H -2.699619 -2.634010 0.858679
H -3.107987 -1.433996 -0.390405
H -2.649325 0.991190 -1.136487
H -0.429044 -3.561233 -2.058790
H -1.720527 -4.176097 -0.985410
H -2.103811 -2.955912 -2.233697
H -4.349385 0.634449 0.638959
H -4.509480 2.292676 0.000872
H -3.715262 2.017468 1.578197
H -0.979670 2.929008 -0.991436
H -2.667889 3.490342 -1.078031
H -1.808173 3.486520 0.489791
H 4.307173 0.775555 0.548402
H 3.280837 0.133712 1.870562
H 3.456538 0.486856 -1.745319
H 1.714825 0.623199 -2.004756
H 3.323588 -2.150193 0.861878
H 4.318080 -1.567657 -0.512877
H 4.997024 -1.580293 1.142674
H 1.719899 2.921379 -0.906685
H 3.475640 2.775229 -0.616421
H 2.854775 2.860752 -2.292357


