%chk=000133621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133621

0 1
 O   0.7810000     -0.5645000      0.6301000    
 O    1.959600       1.983900     -1.8400000E-02
 N   -3.148200     -3.5900000E-02 -0.4793000    
 N   -2.328200      -1.744000      0.6792000    
 C   3.9999999E-04  0.6061000      0.3518000    
 C   -1.308500      0.4832000       1.118000    
 C   0.7729000       1.850200      0.7702000    
 C   -2.262800     -0.4688000      0.4465000    
 C    2.077900     -0.4317000      0.2091000    
 C   -3.336700       1.310300     -0.9658000    
 C    2.645700      0.8021000     -0.1156000    
 C   -3.852500      -1.134700     -0.8837000    
 C   -3.328200      -2.176600     -0.1553000    
 C    2.840400      -1.596800      0.1215000    
 C    3.963000      0.8669000     -0.5705000    
 C   -4.358300       2.080000     -0.1465000    
 C    4.161800      -1.529500     -0.3204000    
 C    4.720700     -0.3001000     -0.6710000    
 H  -0.1850000      0.6343000     -0.7315000    
 H   -1.782200       1.462400       1.244600    
 H   -1.115200      0.1031000       2.130000    
 H   0.1734000       2.752500      0.6103000    
 H    1.060700       1.816200       1.828900    
 H   -2.372500       1.826700     -0.9771000    
 H   -3.670800       1.240200      -2.007600    
 H   -4.637300      -1.085300      -1.625700    
 H   -3.620700      -3.216000     -0.1889000    
 H    2.410100      -2.559400      0.3843000    
 H    4.408800       1.821300     -0.8373000    
 H   -5.335300       1.585500     -0.1700000    
 H   -4.480000       3.091400     -0.5466000    
 H   -4.053800       2.162700      0.9016000    
 H    4.755300      -2.436100     -0.3957000    
 H    5.748600     -0.2512000      -1.018700    


%chk=000133621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133621

0 1
O 0.698843 -0.503672 0.519663
O 2.103198 2.058493 0.428627
N -3.056415 -0.118105 -0.455282
N -2.534395 -1.655362 1.130236
C -0.019046 0.791614 0.559795
C -1.332311 0.559051 1.333561
C 0.882484 1.841482 1.230767
C -2.291853 -0.401138 0.687289
C 2.038306 -0.396823 0.075964
C -3.186501 1.172507 -1.160500
C 2.720374 0.849580 0.019690
C -3.817715 -1.264082 -0.733794
C -3.481080 -2.196196 0.247824
C 2.699840 -1.579287 -0.313157
C 4.046404 0.910198 -0.452930
C -4.380463 2.009655 -0.653878
C 4.032390 -1.519183 -0.774874
C 4.702425 -0.273450 -0.855051
H -0.210597 1.105237 -0.487948
H -1.811187 1.544839 1.503281
H -1.084373 0.133340 2.321019
H 0.392091 2.827294 1.282175
H 1.160406 1.504250 2.249255
H -2.246639 1.736794 -1.034124
H -3.294274 0.968482 -2.241058
H -4.499502 -1.309432 -1.579602
H -3.850581 -3.211289 0.372364
H 2.152378 -2.525041 -0.252275
H 4.545296 1.883892 -0.487697
H -5.329524 1.462318 -0.787728
H -4.445675 2.960049 -1.213983
H -4.273730 2.246153 0.419663
H 4.542246 -2.440088 -1.076155
H 5.733278 -0.223678 -1.220636


