%chk=000128668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128668

1 1
 O   -2.879300      0.4964000      0.9556000    
 O   -4.328800     -0.2183000      -2.249700    
 O   -4.927500      -1.104400       2.045300    
 O   0.9573000      -3.026900     -0.9144000    
 O    3.954700      0.4104000      0.5472000    
 O    3.242100      -4.608400      -1.085500    
 N  -0.6029000      0.7197000      0.2650000    
 N    1.065100     -0.6118000      0.6575000    
 N   0.6868000       2.784700     -0.1695000    
 N    3.062100       2.455600      1.8100001E-02
 N    2.132500       4.552100     -0.5232000    
 C   -1.972900       1.206400      8.9800000E-02
 C   -2.472900       1.028500      -1.336300    
 C   -3.339200     -0.2066000      -1.241700    
 C   -3.931100     -5.5900000E-02  0.1489000    
 C   0.5418000       1.461700      0.1396000    
 C  -0.2713000     -0.5399000      0.5799000    
 C    1.598000      0.6238000      0.3879000    
 C   -4.408800      -1.364000      0.7526000    
 C    1.806800      -1.813700      0.9764000    
 C    2.167400      -2.623800     -0.2703000    
 C    2.953000       1.089000      0.3389000    
 C    2.010500       3.221100     -0.2129000    
 C    2.956700      -3.875500      0.1009000    
 H   -2.000000       2.261800      0.3822000    
 H   -1.673500      0.9307000      -2.077300    
 H   -3.080200       1.892400      -1.634800    
 H   -2.719300      -1.106800      -1.327200    
 H   -4.757600      0.6669000      0.1527000    
 H  -0.9549000      -1.358300      0.7414000    
 H   -3.579400      -2.070400      0.8627000    
 H   -5.194300      -1.819300      0.1421000    
 H    2.701200      -1.550100       1.549900    
 H    1.170600      -2.414000       1.640000    
 H   -4.893900     -0.9946000      -2.097600    
 H  -6.2500000E-02   3.441200     -0.3636000    
 H    2.725200      -2.011000     -0.9869000    
 H   -5.224400      -1.955000       2.411300    
 H    2.371500      -4.527200      0.7583000    
 H    3.900500      -3.616400      0.5904000    
 H    1.204300      -3.554000      -1.693400    
 H    1.319200       5.131600     -0.6993000    
 H    3.042900       4.994500     -0.5866000    
 H    3.743000      -5.398000     -0.8187000    


%chk=000128668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128668

1 1
O -3.098968 0.228198 1.038408
O -5.063463 1.442249 -0.902567
O -2.212131 -2.402156 0.398157
O 0.312082 -3.275012 -0.011801
O 3.743365 0.053715 0.272258
O 2.238881 -4.882779 -0.468256
N -0.831904 0.862588 0.694222
N 0.837417 -0.535449 1.148213
N 0.558744 2.658902 -0.412454
N 2.932804 2.122376 -0.538200
N 2.142492 4.158478 -1.353148
C -2.290563 1.315880 0.567160
C -2.678927 1.594784 -0.915744
C -3.875782 0.639252 -1.177491
C -3.653409 -0.500023 -0.151560
C 0.345260 1.445006 0.215218
C -0.496897 -0.337999 1.282825
C 1.400045 0.570839 0.479647
C -2.697308 -1.583760 -0.699960
C 1.557926 -1.784644 1.500952
C 1.651630 -2.729945 0.293059
C 2.789531 0.862594 0.080416
C 1.914389 2.947728 -0.757319
C 2.594483 -3.916722 0.582111
H -2.428719 2.170477 1.249462
H -1.847970 1.389187 -1.611403
H -3.033659 2.627526 -1.059950
H -3.880400 0.256933 -2.218685
H -4.582557 -0.957672 0.223423
H -1.238385 -1.044120 1.659978
H -1.855612 -1.115309 -1.259160
H -3.272968 -2.196433 -1.426081
H 2.574450 -1.504110 1.821693
H 1.016485 -2.273607 2.327523
H -5.887955 0.901411 -0.996529
H -0.199349 3.317607 -0.599351
H 2.028395 -2.181546 -0.591786
H -1.318802 -2.822925 0.174077
H 2.404480 -4.343588 1.588250
H 3.647799 -3.589795 0.501123
H 0.494940 -4.150917 -0.464963
H 1.424153 4.856199 -1.534865
H 3.109840 4.366085 -1.600126
H 2.764637 -5.715304 -0.401076


