%chk=000125513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125513

0 1
 O    2.994800      -3.146100      0.6727000    
 N   2.2000000E-03 -0.9360000      0.5751000    
 N    3.657600       2.149300       1.373200    
 C    1.268100      -1.490300       1.062300    
 C    1.853400      -2.517300      8.3999999E-02
 C   -2.890600     -0.4669000      0.6487000    
 C  -0.5771000     -2.5200000E-02   1.572000    
 C  -0.9339000      -2.016100      0.2342000    
 C    2.276700     -0.3637000       1.337100    
 C   -1.871200      0.6088000       1.055100    
 C   -2.241600      -1.456200     -0.3318000    
 C    2.283000      -1.891100      -1.246200    
 C    2.965700      0.1645000      0.1023000    
 C    2.999300     -0.5691000      -1.097100    
 C   -4.170200      0.1328000      9.8800004E-02
 C    3.636400       1.395500      0.1755000    
 C    3.673900     -3.9099999E-02  -2.208400    
 C   -5.224300      0.4308000      0.9604000    
 C   -4.288900      0.3851000      -1.266800    
 C    4.310500       1.906000     -0.9331000    
 C    4.327400       1.189800      -2.125600    
 C   -6.401400      0.9827000      0.4547000    
 C   -5.466000      0.9372000      -1.772300    
 C   -6.522100       1.235800     -0.9114000    
 C    4.338200       3.398900       1.486700    
 H    1.094500      -2.002000       2.020800    
 H    1.187500      -3.361400     -0.1035000    
 H   -3.154000      -1.041800       1.548600    
 H   5.8200002E-02  0.8342000       1.789500    
 H  -0.7719000     -0.5455000       2.518800    
 H   -1.145300      -2.649700       1.105400    
 H  -0.5570000      -2.657600     -0.5658000    
 H    3.074800     -0.7887000       1.964500    
 H    1.863600      0.4302000       1.953900    
 H   -2.296200       1.255300       1.833100    
 H   -1.645600       1.258500      0.1984000    
 H   -1.991000     -0.9817000      -1.287300    
 H   -2.930000      -2.281500     -0.5525000    
 H    1.398300      -1.718100      -1.871000    
 H    2.941500      -2.589800      -1.777500    
 H    3.729500      -2.511100      0.6931000    
 H    3.693100     -0.5860000      -3.148200    
 H   -5.141700      0.2407000       2.027000    
 H   -3.487800      0.1994000      -1.972600    
 H    4.837700       2.854800     -0.9171000    
 H    4.848900       1.586100      -2.991900    
 H    3.279900       1.743200       2.218500    
 H   -7.223400       1.216400       1.125000    
 H   -5.558300       1.141100      -2.835100    
 H   -7.437900       1.667300      -1.304900    
 H    5.414700       3.293200       1.315300    
 H    4.213700       3.790200       2.502000    
 H    3.926700       4.149800      0.8040000    


%chk=000125513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125513

0 1
O 3.117492 -3.079085 0.143840
N -0.052764 -1.067761 0.607854
N 3.983297 1.859015 1.666824
C 1.313926 -1.570432 0.961485
C 1.853308 -2.410979 -0.233387
C -2.896260 -0.238248 0.710362
C -0.412503 0.321230 0.972216
C -1.107409 -2.025991 1.022287
C 2.362150 -0.488786 1.318648
C -1.746739 0.726918 0.310570
C -2.463934 -1.691476 0.372806
C 2.014744 -1.516137 -1.471374
C 3.008797 0.215187 0.127314
C 2.867287 -0.280707 -1.194122
C -4.231620 0.138588 0.073898
C 3.814954 1.383632 0.361529
C 3.507855 0.377679 -2.275925
C -5.352529 0.463817 0.879750
C -4.389955 0.169445 -1.337800
C 4.433707 2.042950 -0.737546
C 4.274193 1.536693 -2.044174
C -6.594888 0.809650 0.299746
C -5.627914 0.514184 -1.922637
C -6.737615 0.836069 -1.105980
C 4.787169 3.031217 1.999968
H 1.244212 -2.247903 1.843793
H 1.163023 -3.244621 -0.448434
H -3.013545 -0.175550 1.813924
H 0.380014 1.005288 0.623819
H -0.513918 0.451489 2.083966
H -1.226305 -2.028630 2.139463
H -0.796941 -3.046425 0.731508
H 3.148769 -0.997121 1.916358
H 1.897657 0.247305 2.004882
H -2.002926 1.763352 0.603183
H -1.615375 0.713514 -0.788381
H -2.375525 -1.805174 -0.724557
H -3.232187 -2.407660 0.722286
H 0.998786 -1.200559 -1.778066
H 2.450167 -2.100711 -2.302929
H 3.858508 -2.434637 0.001569
H 3.397444 -0.021301 -3.290831
H -5.249309 0.445240 1.972255
H -3.540324 -0.076418 -1.986572
H 5.043638 2.936141 -0.572406
H 4.762467 2.048157 -2.881857
H 3.587841 1.319610 2.432042
H -7.447704 1.057366 0.942355
H -5.729155 0.532250 -3.014028
H -7.698625 1.103511 -1.559661
H 5.851032 2.907574 1.708125
H 4.750891 3.198936 3.089299
H 4.405039 3.945903 1.503342


