%chk=000020016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020016

0 1
 O   -2.310300      4.1299999E-02   2.062700    
 N    1.901300     -0.6727000       1.031800    
 C   0.4625000     -0.8962000       1.168200    
 C  -0.3845000      0.2917000      0.6453000    
 C   -1.938200      0.1147000      0.6757000    
 C    2.320000      0.5084000       1.796500    
 C    2.263800     -0.5150000     -0.3878000    
 C    3.849100      0.6031000       1.812000    
 C    3.713600     -0.1419000     -0.5971000    
 C   0.1601000      -1.147100       2.646900    
 C    4.459500      0.4352000      0.4449000    
 C   -2.723300       1.308100      0.1027000    
 C   -2.335000      -1.179300     -5.0500002E-02
 C    4.303900     -0.3118000      -1.856700    
 C    5.794100      0.7990000      0.2231000    
 C   -4.092800       1.280400      0.1761000    
 C   -2.131100      -1.256000      -1.406300    
 C   -2.016800       2.343800     -0.4541000    
 C   -2.875800      -2.203100      0.6879000    
 C    5.630200      6.2500000E-02  -2.070600    
 C    6.375200      0.6150000      -1.031100    
 C   -4.804400       2.362100     -0.3430000    
 C   -2.491100      -2.431200      -2.065800    
 C   -2.728600       3.425400     -0.9730000    
 C   -3.235700      -3.378300      2.8300000E-02
 C   -4.122400       3.434500     -0.9174000    
 C   -3.043300      -3.492200      -1.348600    
 H   0.2157000      -1.812300      0.6189000    
 H  -0.1473000       1.188300       1.231400    
 H  -0.1136000      0.4848000     -0.3939000    
 H    2.009900      0.4817000       2.845000    
 H    1.929600       1.436900       1.361000    
 H    1.707700      0.2752000     -0.8980000    
 H    2.068500      -1.462200     -0.9059000    
 H    4.257500     -0.1786000       2.465400    
 H    4.139700       1.574300       2.230500    
 H   0.9403000      -1.760100       3.115900    
 H  -0.7607000      -1.727700       2.760300    
 H   4.8400000E-02 -0.2301000       3.234800    
 H    3.732100     -0.7367000      -2.677800    
 H    6.387000       1.227200       1.027200    
 H   -2.150800      0.9111000       2.468200    
 H   -4.636700      0.4559000      0.6256000    
 H   -1.699900     -0.4413000      -1.978800    
 H  -0.9384000       2.397000     -0.5216000    
 H   -3.041600      -2.150700       1.758000    
 H    6.082200     -7.6300003E-02  -3.048400    
 H    7.409300      0.9028000      -1.197400    
 H   -5.889600       2.369900     -0.2984000    
 H   -2.340600      -2.520400      -3.137700    
 H   -2.198400       4.261700      -1.419400    
 H   -3.666000      -4.204900      0.5862000    
 H   -4.676400       4.276900      -1.320800    
 H   -3.323400      -4.407300      -1.862100    


%chk=000020016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020016

0 1
O -2.650970 -0.455335 1.971284
N 1.762894 -0.266179 1.357844
C 0.344625 -0.365339 1.815686
C -0.601455 0.698393 1.155906
C -2.020180 0.174116 0.776850
C 2.438048 1.033274 1.570990
C 1.962843 -0.765897 -0.017599
C 3.964072 0.827119 1.502719
C 3.416977 -0.694852 -0.469151
C 0.265477 -0.335685 3.356023
C 4.372370 0.080998 0.239789
C -2.958482 1.298386 0.278959
C -1.918383 -0.943865 -0.279256
C 3.813679 -1.392172 -1.637237
C 5.705570 0.141518 -0.240125
C -4.338823 0.994709 0.128557
C -1.552523 -0.616958 -1.609515
C -2.514882 2.606354 -0.037474
C -2.153923 -2.298820 0.055896
C 5.143197 -1.331826 -2.104912
C 6.096898 -0.558160 -1.401122
C -5.250262 1.972054 -0.319572
C -1.415517 -1.626763 -2.586126
C -3.428255 3.588602 -0.488639
C -2.021002 -3.310380 -0.923525
C -4.797808 3.277038 -0.630788
C -1.647547 -2.980637 -2.246030
H 0.005173 -1.367928 1.490728
H -0.714553 1.568221 1.834307
H -0.124276 1.073971 0.228958
H 2.159150 1.424892 2.564325
H 2.135034 1.798313 0.809884
H 1.343481 -0.202113 -0.767677
H 1.608117 -1.813493 -0.061871
H 4.274864 0.242276 2.390747
H 4.484456 1.803646 1.554599
H 0.956636 -1.083969 3.780798
H -0.762612 -0.575056 3.677438
H 0.532288 0.655324 3.770472
H 3.071131 -1.990730 -2.180757
H 6.441423 0.745449 0.306306
H -2.884835 0.271909 2.602467
H -4.683642 -0.017643 0.365011
H -1.396602 0.431965 -1.889808
H -1.458350 2.874111 0.064500
H -2.451775 -2.544759 1.078670
H 5.434953 -1.881710 -3.006780
H 7.132070 -0.500812 -1.756285
H -6.310787 1.718904 -0.430178
H -1.137269 -1.357743 -3.611486
H -3.067479 4.595317 -0.728533
H -2.209353 -4.355467 -0.651921
H -5.503854 4.038343 -0.980909
H -1.545529 -3.765409 -3.004135


