%chk=000096552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096552

0 1
 O   0.1842000     -0.3057000       1.766900    
 O   0.4093000      -2.978200      0.6840000    
 N  -0.2897000      -3.203500      -1.489800    
 C   0.4919000     -2.7600000E-02  0.3869000    
 C  -0.4188000     -0.9903000     -0.4791000    
 C   0.1502000       1.446600      8.5600004E-02
 C    2.012100     -0.2343000      0.2166000    
 C   -1.917100     -0.8148000     -0.2131000    
 C  -4.6100002E-02  -2.478000     -0.3414000    
 C   0.4446000       1.936400      -1.159500    
 C    2.855700      0.5014000       1.005700    
 C  -0.4309000       2.191000       1.078000    
 C    2.439700      -1.143200     -0.7146000    
 C   -2.582200      0.2067000     -0.8497000    
 C   -2.537600      -1.685900      0.6515000    
 C   0.1355000       3.269000      -1.432000    
 C    4.229500      0.3147000      0.8522000    
 C  -0.7400000       3.523600      0.8052000    
 C    3.813400      -1.330000     -0.8680000    
 C   -3.946700      0.3665000     -0.6078000    
 C   -3.902000      -1.526100      0.8933000    
 C  -0.4568000       4.062500     -0.4499000    
 C    4.708300     -0.6010000     -8.4600002E-02
 C   -4.606500     -0.4998000      0.2636000    
 H  -0.2645000     -0.7455000      -1.541800    
 H   0.5983000      -1.152100       2.007600    
 H   0.9022000       1.331800      -1.935300    
 H    2.497600       1.211800       1.743600    
 H  -0.6706000       1.808300       2.063300    
 H    1.823600      -1.657700      -1.433400    
 H   -2.098600      0.8661000      -1.560600    
 H   -2.024100      -2.479600       1.180900    
 H   0.3549000       3.688400      -2.409500    
 H    4.926300      0.8819000       1.462200    
 H   -1.202700       4.141600       1.569200    
 H    4.188500      -2.023700      -1.615100    
 H   -4.497000       1.160200      -1.104500    
 H   -4.415500      -2.196900       1.576100    
 H  -0.6777000      -2.784600      -2.328800    
 H  -8.9500003E-02  -4.197400      -1.528900    
 H  -0.6983000       5.099800     -0.6624000    
 H    5.778000     -0.7424000     -0.2083000    
 H   -5.669000     -0.3758000      0.4515000    


%chk=000096552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096552

0 1
O 0.303955 -0.343016 1.857532
O 0.306969 -2.908817 1.048113
N -0.171976 -3.398126 -1.156630
C 0.545780 -0.077184 0.436854
C -0.383354 -1.040316 -0.425489
C 0.148621 1.388087 0.172785
C 2.047821 -0.299567 0.121654
C -1.882549 -0.794906 -0.220257
C -0.044206 -2.511926 -0.113841
C 0.542567 2.042863 -1.020737
C 2.989036 0.032006 1.130394
C -0.650861 2.084904 1.109586
C 2.533730 -0.764496 -1.126406
C -2.612424 -0.080539 -1.203908
C -2.564309 -1.260815 0.933248
C 0.132732 3.369389 -1.280424
C 4.374067 -0.101042 0.900425
C -1.052268 3.415245 0.854555
C 3.921849 -0.903049 -1.358409
C -3.993044 0.169027 -1.041396
C -3.944884 -1.011980 1.096213
C -0.668111 4.061791 -0.342534
C 4.848992 -0.570583 -0.347058
C -4.665129 -0.296972 0.111520
H -0.161429 -0.842211 -1.490213
H 0.421785 -1.339402 1.959868
H 1.195840 1.531854 -1.737332
H 2.613247 0.385187 2.095484
H -0.939011 1.573016 2.031020
H 1.843956 -1.031060 -1.935298
H -2.093027 0.301431 -2.091522
H -2.017148 -1.816706 1.700557
H 0.449340 3.865818 -2.205060
H 5.083917 0.160354 1.693515
H -1.668357 3.945608 1.589781
H 4.275815 -1.270247 -2.328699
H -4.539610 0.729086 -1.808407
H -4.458640 -1.375573 1.993375
H -0.508554 -3.104645 -2.071915
H -0.006247 -4.389556 -0.980205
H -0.981500 5.093449 -0.539709
H 5.924835 -0.676751 -0.526167
H -5.736317 -0.105427 0.240935


