%chk=000003631.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003631

0 1
 O    4.562400     -0.2514000     -0.2699000    
 N   -1.243400       1.555400       1.478900    
 N    2.387500     -0.4196000      -1.024600    
 C  -0.9429000      0.3737000      0.6376000    
 C   -1.749200      0.4582000     -0.6948000    
 C   -1.348800     -0.7515000      -1.567500    
 C   -1.579700       1.804600      -1.418800    
 C   -1.464800     -0.8895000       1.402600    
 C   0.5636000      0.1794000      0.3680000    
 C   0.1385000     -0.6787000      -1.964700    
 C   -1.876900       2.953900     -0.4643000    
 C    1.031400     -0.2750000     -0.8156000    
 C   -1.596400      -2.043500     -0.8149000    
 C   -1.030400       2.833700      0.7971000    
 C   -1.656200      -2.114100      0.5276000    
 C    1.524600      0.4677000       1.422000    
 C   -1.917700      -3.405000       1.244600    
 C    2.843600      0.3345000       1.235900    
 C    3.354800     -0.1330000     -7.9200000E-02
 H   -2.822200      0.3702000     -0.4593000    
 H   -1.967200     -0.7644000      -2.473600    
 H   -2.257100       1.853200      -2.279400    
 H  -0.5648000       1.932700      -1.809200    
 H   -2.441400     -0.6669000       1.856400    
 H  -0.7882000      -1.135200       2.232100    
 H   0.2666000      4.4500001E-02  -2.779700    
 H   0.4633000      -1.649400      -2.363100    
 H  -0.7471000       1.524500       2.365900    
 H   -1.673700       3.910000     -0.9596000    
 H   -2.941900       2.949700     -0.2003000    
 H   -1.718700      -2.942800      -1.413100    
 H   3.0300001E-02   2.977000      0.5609000    
 H   -1.308500       3.640800       1.484000    
 H    1.172300      0.7786000       2.398500    
 H    2.690000     -0.7576000      -1.933800    
 H   -2.059900      -4.240800      0.5515000    
 H   -2.821400      -3.321900       1.857000    
 H   -1.075500      -3.653200       1.898500    
 H    3.557700      0.5436000       2.023100    


%chk=000003631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003631

0 1
O 4.626058 -0.362104 -0.355514
N -1.320752 1.551415 1.459316
N 2.382761 -0.461155 -1.020927
C -0.986129 0.357855 0.640158
C -1.754188 0.462146 -0.711247
C -1.362570 -0.761417 -1.581527
C -1.531232 1.826356 -1.407251
C -1.517633 -0.888936 1.407272
C 0.531729 0.191711 0.366932
C 0.128473 -0.668190 -2.019987
C -1.864513 2.998111 -0.455920
C 1.014875 -0.303588 -0.845249
C -1.597424 -2.058035 -0.817493
C -1.039400 2.866031 0.841379
C -1.652415 -2.132575 0.540978
C 1.502185 0.498204 1.384607
C -1.870170 -3.438372 1.277730
C 2.866885 0.333261 1.197518
C 3.403050 -0.170936 -0.059822
H -2.831510 0.381474 -0.464188
H -1.984323 -0.763876 -2.499543
H -2.154982 1.878714 -2.321649
H -0.476880 1.928697 -1.731421
H -2.507274 -0.622447 1.834049
H -0.854847 -1.109696 2.270842
H 0.249966 0.088482 -2.822608
H 0.450673 -1.637683 -2.449175
H -0.989820 1.474646 2.429500
H -1.645652 3.966865 -0.944632
H -2.940475 2.981310 -0.197044
H -1.693140 -2.976801 -1.413482
H 0.041347 3.013236 0.598195
H -1.328200 3.653556 1.561419
H 1.147016 0.890481 2.346774
H 2.738280 -0.829442 -1.910346
H -2.017367 -4.283164 0.582962
H -2.757604 -3.379396 1.938875
H -1.006171 -3.675516 1.929730
H 3.593973 0.573174 1.977593


