%chk=000025986.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025986

0 1
 O   -1.555700     -0.3804000       2.024300    
 N    3.077600     -0.6409000      0.2731000    
 N   0.4895000     -0.5185000      0.9642000    
 C    2.559800      0.7091000      0.4941000    
 C    4.546400     -0.6428000      0.3226000    
 C    2.588600      -1.176100      -1.005400    
 C    5.103000      -2.055900      0.1422000    
 C    3.081300      -2.606500      -1.229400    
 C    4.601500      -2.688300      -1.150900    
 C    3.033700       1.194900       1.868800    
 C    3.123700       1.617700     -0.6053000    
 C    1.018000      0.5831000      0.5103000    
 C   0.2178000       1.734100      3.2900002E-02
 C  -0.1207000       1.808500      -1.304800    
 C  -0.1704000       2.702300      0.9392000    
 C  -0.8801000     -0.6415000       1.032200    
 C  -0.8760000       2.892200      -1.753100    
 C  -0.9256000       3.785900      0.4908000    
 C   -1.476700      -1.220200     -0.2370000    
 C   -1.278500       3.880900     -0.8552000    
 C   -2.979500      -1.308400     -0.1963000    
 C   -3.583100      -2.458800      0.2915000    
 C   -3.739200     -0.2383000     -0.6473000    
 C   -4.975000      -2.540700      0.3293000    
 C   -5.131100     -0.3201000     -0.6095000    
 C   -5.749100      -1.471400     -0.1213000    
 H    4.929800     -0.3010000       1.288100    
 H    5.012400     -3.7900001E-02 -0.4610000    
 H    1.500400      -1.213700      -1.093000    
 H    2.948600     -0.5995000      -1.864500    
 H    4.803600      -2.680300      0.9938000    
 H    6.198800      -2.027400      0.1380000    
 H    2.744600      -2.967100      -2.208200    
 H    2.638300      -3.269500     -0.4752000    
 H    4.925300      -3.733200      -1.208800    
 H    5.041700      -2.166100      -2.009200    
 H    2.869000      0.4399000       2.647500    
 H    2.469000       2.081500       2.179300    
 H    4.086800       1.494400       1.888100    
 H    2.754800       2.640200     -0.4417000    
 H    2.800200       1.371700      -1.619700    
 H    4.210000       1.738700     -0.5958000    
 H   0.1970000       1.049900      -2.013800    
 H   9.2799999E-02   2.632800       1.990300    
 H   -1.149100       2.966900      -2.801600    
 H   -1.240600       4.554800       1.190200    
 H   -1.056500      -2.225000     -0.3751000    
 H   -1.171100     -0.6432000      -1.111800    
 H   -1.866800       4.724500      -1.204300    
 H   -2.989700      -3.296500      0.6469000    
 H   -3.268400      0.6635000      -1.027500    
 H   -5.456200      -3.436800      0.7101000    
 H   -5.733700      0.5128000     -0.9597000    
 H   -6.832900      -1.534900     -9.1499999E-02


%chk=000025986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025986

0 1
O -0.977910 0.015134 3.518697
N 2.697206 -0.606958 -0.161887
N 0.482339 -0.260677 1.721230
C 2.378916 0.701076 0.517852
C 4.136334 -0.840832 -0.447024
C 1.863959 -0.894443 -1.356302
C 4.377958 -2.308780 -0.862763
C 2.036352 -2.360597 -1.806473
C 3.519985 -2.679165 -2.092346
C 3.139560 0.789189 1.875917
C 2.763456 1.945897 -0.337018
C 0.862840 0.688612 0.920334
C -0.078553 1.789904 0.512989
C -0.357583 2.080579 -0.849100
C -0.744081 2.533010 1.528271
C -0.667409 -0.565959 2.432216
C -1.280149 3.091930 -1.188825
C -1.650033 3.558877 1.182305
C -1.449093 -1.783406 1.901312
C -1.922176 3.842025 -0.175757
C -2.092529 -1.533655 0.540845
C -3.106888 -0.550299 0.400840
C -1.700771 -2.274599 -0.602198
C -3.717135 -0.318213 -0.850648
C -2.312707 -2.046742 -1.856778
C -3.324128 -1.067407 -1.984995
H 4.726392 -0.619215 0.457333
H 4.512832 -0.174977 -1.267609
H 0.803551 -0.719101 -1.101925
H 2.122548 -0.225993 -2.220690
H 4.111746 -2.966106 -0.012878
H 5.454683 -2.452959 -1.077912
H 1.413905 -2.542312 -2.704474
H 1.667284 -3.022009 -0.998517
H 3.647536 -3.747704 -2.349875
H 3.861245 -2.091679 -2.970366
H 2.984009 -0.141724 2.444377
H 2.753378 1.633241 2.475298
H 4.219559 0.959958 1.725164
H 2.448616 2.882313 0.155823
H 2.316284 1.930996 -1.344569
H 3.861314 1.977935 -0.454415
H 0.114960 1.495935 -1.644733
H -0.552010 2.297483 2.580271
H -1.499236 3.293333 -2.243207
H -2.146846 4.129802 1.974366
H -2.214207 -2.006505 2.665552
H -0.757447 -2.643115 1.841122
H -2.629477 4.635323 -0.442684
H -3.414902 0.034165 1.276442
H -0.919887 -3.039601 -0.508126
H -4.497858 0.445505 -0.941174
H -2.004760 -2.636133 -2.728211
H -3.802674 -0.891957 -2.955178


