%chk=000012028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012028

0 1
 O   0.9667000     -0.1283000       1.447900    
 N    3.417000     -2.2000000E-03  0.1859000    
 N  -5.1199999E-02 -0.4428000     -0.6442000    
 C    2.316600     -0.7128000     -0.4645000    
 C    3.191300       1.441900      0.1395000    
 C    4.690200     -0.3412000     -0.4488000    
 C   -1.419600     -0.2070000     -0.3707000    
 C   -2.230700      -1.266200      8.5000005E-03
 C   -1.926300       1.078800     -0.4863000    
 C    1.015500     -0.3925000      0.2508000    
 C   -4.101600      0.2542000      0.1659000    
 C   -3.579500      -1.034400      0.2783000    
 C   -3.274900       1.310800     -0.2164000    
 C    4.325800       2.196700      0.8112000    
 C    4.970500      -1.831500     -0.3557000    
 C   -1.700600      -2.657500      0.1375000    
 C   -1.065900       2.230800     -0.8944000    
 C   -5.543300      0.5033000      0.4554000    
 H    2.250400     -0.4544000      -1.528800    
 H    2.417000      -1.800000     -0.3781000    
 H    3.083600       1.799000     -0.8931000    
 H    2.278700       1.730200      0.6699000    
 H    4.724300     -2.2000000E-02  -1.498100    
 H    5.525800      0.1394000      6.9799997E-02
 H   0.1202000     -0.8648000      -1.554400    
 H   -4.227500      -1.854200      0.5793000    
 H   -3.686300       2.314100     -0.2997000    
 H    4.573100       1.773700       1.790900    
 H    5.230200       2.232600      0.1961000    
 H    4.024100       3.237800      0.9750000    
 H    4.821000      -2.210200      0.6613000    
 H    4.356900      -2.417000      -1.047100    
 H    6.014800      -2.026000     -0.6256000    
 H   -1.235300      -2.981200     -0.7995000    
 H  -0.9636000      -2.711800      0.9454000    
 H   -2.493900      -3.377000      0.3678000    
 H  -0.5620000       2.019500      -1.843600    
 H   -1.650600       3.146000      -1.038400    
 H  -0.3151000       2.436800     -0.1246000    
 H   -5.932000       1.326600     -0.1537000    
 H   -6.151100     -0.3786000      0.2260000    
 H   -5.676000      0.7553000       1.512200    


%chk=000012028-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000012028

0 1
O 0.917785 -0.173974 1.577891
N 3.449363 0.030065 -0.113837
N -0.020397 -0.499236 -0.547052
C 2.380082 -0.973553 -0.243736
C 3.226480 1.215107 -0.982156
C 4.810124 -0.554330 -0.228016
C -1.402253 -0.214987 -0.255407
C -2.371214 -1.206694 -0.589277
C -1.794814 1.035954 0.300695
C 1.040262 -0.497895 0.364986
C -4.158538 0.283422 0.240313
C -3.735780 -0.936684 -0.341753
C -3.173553 1.251870 0.545160
C 3.986838 2.467068 -0.505807
C 5.205474 -1.414268 0.988031
C -1.946708 -2.535973 -1.189951
C -0.793016 2.131363 0.600024
C -5.625114 0.536816 0.544133
H 2.226098 -1.297601 -1.310851
H 2.672461 -1.872960 0.326437
H 3.484753 0.994608 -2.051550
H 2.143442 1.440009 -0.960630
H 4.922870 -1.153500 -1.169872
H 5.523126 0.285270 -0.305155
H 0.186237 -0.878976 -1.475120
H -4.482047 -1.699976 -0.596048
H -3.482941 2.212871 0.975210
H 3.721489 2.687200 0.542395
H 5.083034 2.342765 -0.564992
H 3.718265 3.338068 -1.132083
H 5.090408 -0.828596 1.915882
H 4.585755 -2.324300 1.081637
H 6.258331 -1.740379 0.898245
H -1.541564 -2.424259 -2.216574
H -1.161051 -3.020492 -0.580660
H -2.803509 -3.227130 -1.255301
H -0.088241 2.272660 -0.241627
H -1.303704 3.091132 0.787855
H -0.182290 1.869134 1.482906
H -5.867137 1.613542 0.503416
H -6.284917 0.010583 -0.168292
H -5.887194 0.180156 1.559431


