%chk=000128190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128190

0 1
 O    1.571600       3.194800      -1.201500    
 O    1.247800      -3.224200     -0.3187000    
 O    3.637400      -3.019200     -0.3110000    
 O   -3.534700       1.381400     -0.4716000    
 O   -4.871500     -0.9462000      0.1179000    
 N    1.342500       2.999000      0.1365000    
 C   0.5946000       1.679600      0.3916000    
 C    1.454900      0.4298000      0.2093000    
 C    2.660400       2.953900      0.8818000    
 C  -0.6885000       1.564500     -0.4553000    
 C    2.870400      0.5268000      0.2248000    
 C    3.566200       1.854300      0.3528000    
 C   0.8036000     -0.8314000      8.2300000E-02
 C   -1.419000      0.2782000     -0.1518000    
 C  -0.6779000     -0.8941000      0.1181000    
 C   0.5481000       4.171200      0.6566000    
 C    1.636900      -1.933600     -9.9600002E-02
 C    3.653900     -0.6205000      5.4299999E-02
 C    3.011800      -1.826200     -0.1106000    
 C   -2.822300      0.2569000     -0.1688000    
 C   -1.401900      -2.056500      0.4363000    
 C   -3.510400     -0.9155000      0.1237000    
 C   -2.800400      -2.068400      0.4355000    
 C    2.510800      -3.902300     -0.4343000    
 C   -3.851800       1.594200      -1.844400    
 C   -5.532500     -0.6467000       1.346100    
 H   0.3289000       1.720000       1.458400    
 H    2.413300       2.803700       1.939700    
 H    3.135100       3.933800      0.7573000    
 H  -0.4568000       1.583200      -1.527800    
 H   -1.335900       2.420800     -0.2477000    
 H    4.428500       1.760300       1.023800    
 H    3.949100       2.133900     -0.6365000    
 H    1.169700       5.064700      0.5473000    
 H  -0.3501000       4.279000      4.6200000E-02
 H   0.3067000       3.986700       1.706000    
 H    4.737500     -0.5627000      3.8199998E-02
 H  -0.9005000      -2.980000      0.7105000    
 H   -3.326100      -2.987500      0.6815000    
 H    2.555900      -4.397200      -1.411100    
 H    2.573300      -4.666200      0.3493000    
 H   -4.501800      0.7961000      -2.216600    
 H   -2.942800       1.649300      -2.451300    
 H   -4.384900       2.545200      -1.928800    
 H   -5.281300      0.3640000       1.682800    
 H   -5.262000      -1.377400       2.114900    
 H   -6.611300     -0.7006000       1.176200    


%chk=000128190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128190

0 1
O 1.505920 3.225986 -1.173983
O 1.338815 -3.332748 -0.048339
O 3.714051 -3.113945 -0.156435
O -3.498964 1.399951 -0.416402
O -4.877562 -1.101929 0.087852
N 1.342487 2.999849 0.221158
C 0.610929 1.646113 0.497631
C 1.520797 0.437191 0.266465
C 2.721740 2.948213 0.915862
C -0.635274 1.553473 -0.394241
C 2.929885 0.551826 0.184275
C 3.580115 1.922188 0.185924
C 0.856605 -0.841410 0.167249
C -1.366050 0.257665 -0.106707
C -0.622623 -0.928742 0.177643
C 0.552011 4.150359 0.832346
C 1.704180 -1.954535 0.027645
C 3.748341 -0.602864 0.028375
C 3.105894 -1.834731 -0.041916
C -2.778603 0.207151 -0.140789
C -1.321024 -2.144670 0.410439
C -3.468576 -1.007747 0.134108
C -2.728471 -2.180284 0.393041
C 2.588733 -4.037122 -0.432983
C -4.163131 1.404422 -1.741310
C -5.604001 -0.254497 1.062353
H 0.306863 1.679268 1.566468
H 2.571914 2.692473 1.982918
H 3.142287 3.962649 0.823172
H -0.281097 1.620082 -1.442437
H -1.324194 2.396441 -0.230609
H 4.586782 1.885433 0.640185
H 3.675404 2.281411 -0.857888
H 1.106311 5.068144 0.589277
H -0.429025 4.187963 0.341619
H 0.441206 4.032388 1.926107
H 4.836305 -0.521277 -0.040869
H -0.761958 -3.060724 0.610915
H -3.276617 -3.107909 0.584225
H 2.557412 -4.258400 -1.517612
H 2.697309 -4.937312 0.189861
H -4.877118 0.564563 -1.820713
H -3.408882 1.336132 -2.547781
H -4.692541 2.367616 -1.804092
H -5.345136 0.810804 0.930569
H -5.365225 -0.575844 2.094159
H -6.671724 -0.424167 0.855565


