%chk=000025855.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025855

0 1
 O   0.5119000      -1.056900      0.7025000    
 N    4.055300      -1.075400     -0.2772000    
 C  -0.7367000     -0.8683000      1.2000000E-02
 C   -1.918700     -0.9622000       1.039100    
 C  -0.8563000      -2.022100      -1.020600    
 C   -3.276900      -1.018800      0.3163000    
 C   -2.228300      -2.130000      -1.689700    
 C   -3.365900      -2.171600     -0.6780000    
 C  -0.6078000      0.5434000     -0.5818000    
 C   -1.781900      -2.134200       2.026900    
 C  -0.4938000       1.657600      0.2456000    
 C  -0.6066000      0.6933000      -1.966600    
 C    1.611700     -0.9628000     -0.1883000    
 C  -0.4937000       1.517800       1.732600    
 C  -0.3781000       2.929600     -0.3149000    
 C    2.897500      -1.147100      0.6017000    
 C  -0.4907000       1.965200      -2.527100    
 C  -0.3765000       3.083400      -1.701200    
 C   -1.685600       2.237700       2.389700    
 C   0.8239000       1.999100       2.367300    
 C    5.292300      -1.294800      0.4765000    
 C    4.105000      0.2173000     -0.9646000    
 H   -2.077700     -0.1132000       1.682500    
 H  -0.6438000      -2.974300     -0.5150000    
 H  -0.1188000      -1.977400      -1.827500    
 H   -3.450000     -7.3399998E-02 -0.2137000    
 H   -4.090200      -1.113600       1.046600    
 H   -2.258700      -3.040000      -2.301000    
 H   -2.407900      -1.299700      -2.378600    
 H   -4.326000      -2.127700      -1.205400    
 H   -3.349200      -3.129500     -0.1452000    
 H   -1.688800      -3.099000       1.521100    
 H  -0.9018000      -2.002600       2.665000    
 H   -2.655300      -2.189300       2.686100    
 H  -0.6552000     -0.1290000      -2.667300    
 H    1.598500      -1.751500     -0.9441000    
 H    1.643600      1.2100000E-02 -0.6694000    
 H  -0.4638000      0.4998000       2.099800    
 H  -0.2882000       3.815700      0.3073000    
 H    2.951300     -0.4061000       1.409300    
 H    2.859100      -2.126300       1.097300    
 H  -0.4810000       2.085400      -3.606500    
 H  -0.2845000       4.073600      -2.137900    
 H   -1.588200       3.326700       2.316800    
 H   -1.742600       1.986700       3.454600    
 H   -2.639300       1.964800       1.925700    
 H    1.687500       1.503800       1.912900    
 H   0.8383000       1.786300       3.442300    
 H   0.9632000       3.079000       2.246100    
 H    5.272400      -2.272000      0.9718000    
 H    5.453300     -0.5240000       1.238900    
 H    6.157500      -1.303500     -0.1958000    
 H    3.357800      0.2859000      -1.761400    
 H    5.067300      0.3397000      -1.477200    
 H    3.987600       1.063700     -0.2779000    


%chk=000025855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025855

0 1
O 0.470639 -1.105699 0.566261
N 4.176557 -1.043074 0.057635
C -0.829504 -0.866868 -0.151310
C -1.935753 -1.079451 0.949287
C -0.970743 -1.978043 -1.240663
C -3.342415 -1.175517 0.293869
C -2.397682 -2.213224 -1.807408
C -3.454172 -2.358629 -0.690355
C -0.851390 0.591610 -0.693575
C -1.649491 -2.290834 1.871386
C -0.611351 1.735476 0.146548
C -1.103782 0.824626 -2.073716
C 1.692645 -0.945638 -0.236167
C -0.206862 1.673700 1.633540
C -0.709050 3.031074 -0.429164
C 2.864224 -1.148754 0.738321
C -1.181473 2.118756 -2.627606
C -0.999504 3.239294 -1.791621
C -1.280473 2.325585 2.547019
C 1.172846 2.351071 1.865792
C 5.254826 -1.718880 0.807573
C 4.542546 0.346640 -0.286168
H -1.944635 -0.182918 1.592933
H -0.630620 -2.912381 -0.753812
H -0.267222 -1.794268 -2.074643
H -3.563549 -0.232959 -0.246725
H -4.099106 -1.270059 1.097204
H -2.379552 -3.119427 -2.444405
H -2.700316 -1.373810 -2.461858
H -4.468432 -2.394242 -1.132896
H -3.309299 -3.315190 -0.151637
H -1.586444 -3.243668 1.317161
H -0.694760 -2.156533 2.404187
H -2.462248 -2.388399 2.616389
H -1.240472 -0.024911 -2.746164
H 1.752820 -1.707573 -1.037869
H 1.713452 0.059902 -0.703784
H -0.085115 0.618059 1.921183
H -0.540328 3.904168 0.212423
H 2.764301 -0.425587 1.586816
H 2.773690 -2.163348 1.167466
H -1.382466 2.245613 -3.697313
H -1.066844 4.256248 -2.194286
H -1.402762 3.401455 2.321361
H -0.987322 2.235660 3.609877
H -2.268889 1.846492 2.421300
H 1.952410 1.902031 1.224385
H 1.482714 2.228890 2.920715
H 1.139153 3.434935 1.648869
H 4.988645 -2.778032 0.971536
H 5.463443 -1.254869 1.805750
H 6.189903 -1.688996 0.219256
H 3.772038 0.801456 -0.931371
H 5.494506 0.349576 -0.846671
H 4.669167 1.000765 0.615540


