%chk=000046043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046043

2 1
 O   0.8622000      0.3523000      0.4152000    
 N   -2.658800     -0.4207000     -0.4055000    
 N    4.573200      0.2083000      4.9199998E-02
 C   -1.532300      0.2191000      0.3196000    
 C   -4.004200     -1.5000000E-02  0.2115000    
 C   -2.547000      -1.950100     -0.3441000    
 C   -2.664700     -1.1000000E-03  -1.881700    
 C  -0.2216000     -0.2284000     -0.2972000    
 C   -4.187600       1.486800      6.2500000E-02
 C    3.236800      0.6022000      0.6615000    
 C   -2.539000      -2.391500       1.103200    
 C    2.114900     -4.0800001E-02 -0.1297000    
 C   -5.488100       1.947900      0.7003000    
 C    4.737100      -1.303200      0.1179000    
 C    4.617200      0.6579000      -1.404100    
 C    5.701800      0.8764000      0.8213000    
 H   -1.584600       1.306100      0.2017000    
 H   -1.589900      2.3900000E-02   1.395000    
 H   -3.994100     -0.2626000       1.276100    
 H   -4.799400     -0.5747000     -0.2939000    
 H   -1.672000      -2.292700     -0.9020000    
 H   -3.428300      -2.356300     -0.8560000    
 H   -2.441800       1.066400      -1.963200    
 H   -3.645800     -0.2345000      -2.307400    
 H   -1.906500     -0.5776000      -2.420300    
 H  -0.1404000      8.3700001E-02  -1.343000    
 H  -8.2699999E-02  -1.309600     -0.2364000    
 H   -3.392500       2.056500      0.5492000    
 H   -4.223400       1.793400     -0.9870000    
 H    3.225400      0.2788000       1.709300    
 H    3.158500       1.696000      0.6457000    
 H   -3.459200      -2.167000       1.646000    
 H   -1.680800      -2.029500       1.673700    
 H   -2.457400      -3.485800       1.120300    
 H    2.164200      -1.132100     -8.2900003E-02
 H    2.120500      0.2739000      -1.176400    
 H   -5.502500       1.722200       1.771500    
 H   -6.348800       1.457300      0.2344000    
 H   -5.609000       3.029300      0.5806000    
 H    4.071600      -1.789800     -0.5991000    
 H    5.771400      -1.542500     -0.1501000    
 H    4.532100      -1.633200       1.140500    
 H    5.650500      0.5635000      -1.754200    
 H    3.986100      1.3500000E-02  -2.020800    
 H    4.301500       1.703800      -1.460000    
 H    5.569500       1.960500      0.7567000    
 H    5.650600      0.5448000       1.862700    
 H    6.655700      0.5815000      0.3741000    


%chk=000046043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046043

2 1
O 0.899789 0.051010 0.007647
N -2.815134 -0.478592 -0.511856
N 4.679847 0.344390 0.103194
C -1.453841 -0.036329 0.046847
C -3.946805 0.187912 0.338557
C -2.993218 -2.027638 -0.453181
C -2.967693 -0.055379 -1.973656
C -0.218576 -0.671504 -0.620914
C -4.055161 1.719699 0.247147
C 3.169516 0.532081 0.357195
C -2.898560 -2.655620 0.940120
C 2.227317 -0.385810 -0.447127
C -5.223247 2.196030 1.147777
C 5.129562 -1.075928 0.456572
C 5.038281 0.648682 -1.354229
C 5.425841 1.335831 1.009299
H -1.392251 1.056878 -0.073212
H -1.448496 -0.263517 1.124596
H -3.765989 -0.117783 1.382677
H -4.885655 -0.283572 -0.004614
H -2.230481 -2.449625 -1.130125
H -3.982114 -2.222589 -0.903551
H -2.689658 1.001791 -2.085856
H -4.017395 -0.194924 -2.273988
H -2.325501 -0.683243 -2.608856
H -0.203378 -0.512649 -1.718794
H -0.136108 -1.757191 -0.409801
H -3.123714 2.210030 0.586486
H -4.251389 2.046475 -0.789858
H 3.000025 0.367563 1.434603
H 2.931596 1.584019 0.125701
H -3.700746 -2.327795 1.620171
H -1.923273 -2.492524 1.430309
H -3.016055 -3.747262 0.819791
H 2.379339 -1.458684 -0.210464
H 2.324714 -0.236760 -1.542090
H -5.058179 1.929527 2.207094
H -6.186802 1.760625 0.827981
H -5.320550 3.292567 1.091184
H 4.675411 -1.794293 -0.241015
H 6.225436 -1.130828 0.371962
H 4.826574 -1.303827 1.489828
H 6.132616 0.610368 -1.463904
H 4.580963 -0.101774 -2.014944
H 4.675485 1.655201 -1.612390
H 5.113301 2.360598 0.757481
H 5.184527 1.116286 2.060398
H 6.508229 1.225378 0.844504


