%chk=000042496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042496

0 1
 O    2.734200       2.091000       1.108900    
 O    4.803800       1.509100     -0.4050000    
 N   -2.518900      0.9543000     -0.4393000    
 N   0.9422000      0.6582000      0.7723000    
 N    5.837500      -3.181500     -0.6154000    
 C  -9.7199999E-02   1.611100       1.091500    
 C   -1.308100      0.9172000       1.719600    
 C  -0.5271000       2.395900     -0.1502000    
 C   -2.108700      0.1114000      0.6918000    
 C   -1.354200       1.541000      -1.115500    
 C   -3.326200      0.1843000      -1.385300    
 C   -4.574600     -0.3606000     -0.7439000    
 C    2.288600      0.9864000      0.8094000    
 C    3.230700     -9.7300000E-02  0.4285000    
 C   -4.544400      -1.611900     -0.1442000    
 C   -5.737900      0.3962000     -0.7608000    
 C    4.439700      0.2193000     -0.1575000    
 C   -5.700700      -2.116700      0.4504000    
 C   -6.894300     -0.1088000     -0.1661000    
 C    2.856900      -1.402600      0.6804000    
 C   -6.875600      -1.365300      0.4394000    
 C    5.311600     -0.8120000     -0.5067000    
 C    3.728700      -2.433700      0.3312000    
 C    4.956000      -2.138600     -0.2624000    
 C    4.438000       2.053700      -1.671000    
 H   0.3169000       2.316600       1.822200    
 H   -1.963300       1.677300       2.165800    
 H  -0.9883000      0.2556000       2.534000    
 H   0.3476000       2.795900     -0.6770000    
 H   -1.129200       3.258700      0.1639000    
 H   -1.530200     -0.7581000      0.3556000    
 H   -2.970000     -0.2551000       1.256400    
 H   -1.689500       2.187300      -1.936000    
 H  -0.7219000      0.7598000      -1.557400    
 H   -2.748600     -0.6406000      -1.826100    
 H   -3.621400      0.8217000      -2.229700    
 H   0.6499000     -0.2407000      0.4043000    
 H   -3.641800      -2.216500     -0.1412000    
 H   -5.763200       1.376800      -1.227700    
 H   -5.687200      -3.096500      0.9188000    
 H   -7.809200      0.4765000     -0.1742000    
 H    1.926400      -1.670700       1.170600    
 H   -7.776200      -1.758600      0.9018000    
 H    6.267700     -0.5766000     -0.9687000    
 H    3.443900      -3.463200      0.5333000    
 H    6.727200      -2.968400      -1.046400    
 H    5.579900      -4.143400     -0.4391000    
 H    4.747500       3.102100      -1.695100    
 H    3.354600       2.005800      -1.819600    
 H    4.950200       1.519200      -2.477400    


%chk=000042496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042496

0 1
O 2.658475 2.273010 0.662541
O 4.646438 1.031404 -1.646163
N -2.442956 0.819782 -0.404749
N 1.054671 0.597319 0.723053
N 6.399950 -3.052486 0.094884
C -0.029367 1.501378 1.166776
C -1.198090 0.675321 1.750857
C -0.553448 2.391127 0.007786
C -1.963720 -0.097584 0.655287
C -1.322993 1.564553 -1.037194
C -3.298463 0.134205 -1.402340
C -4.636001 -0.330269 -0.832357
C 2.359052 1.038127 0.537680
C 3.357771 -0.048207 0.255550
C -5.201844 -1.563756 -1.237653
C -5.355921 0.487708 0.075470
C 4.438011 0.040028 -0.681459
C -6.466804 -1.972236 -0.754436
C -6.617197 0.080920 0.563375
C 3.335621 -1.199340 1.100414
C -7.179376 -1.149980 0.148065
C 5.436118 -0.961757 -0.724019
C 4.317380 -2.197160 1.064510
C 5.403119 -2.079917 0.143930
C 3.563578 1.917780 -2.093954
H 0.405224 2.160057 1.941378
H -1.902999 1.371034 2.241577
H -0.827257 -0.028095 2.521032
H 0.299049 2.914527 -0.459826
H -1.231490 3.155058 0.433991
H -1.312975 -0.907660 0.220711
H -2.836963 -0.606224 1.100525
H -1.744037 2.233755 -1.810724
H -0.611123 0.867595 -1.554806
H -2.777029 -0.740001 -1.872479
H -3.485810 0.861056 -2.218824
H 0.829164 -0.374794 0.504801
H -4.649827 -2.209113 -1.932989
H -4.903056 1.432515 0.396769
H -6.891612 -2.929936 -1.076514
H -7.163171 0.722088 1.265221
H 2.542986 -1.271441 1.854609
H -8.158559 -1.465207 0.526136
H 6.228293 -0.850469 -1.472039
H 4.268396 -3.046489 1.755443
H 7.188244 -2.959565 -0.538704
H 6.371352 -3.856561 0.714354
H 3.906181 2.304827 -3.066572
H 3.406050 2.733427 -1.370618
H 2.618766 1.354643 -2.227106


