%chk=000049887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049887

0 1
 O   0.7294000       2.582800      -1.814400    
 O    4.596600       1.063900       1.719900    
 O    3.339300      -2.189700      -1.561300    
 O    5.084100      -1.325700      0.4075000    
 N  -0.6076000       1.513000     -0.2251000    
 N   -3.150700      0.3556000      0.1443000    
 N   -5.505400      0.4958000     -9.4899997E-02
 N   -4.471300      -1.542400      0.6691000    
 C  -0.7978000      0.5282000      0.8425000    
 C   -1.796900       2.308600     -0.5119000    
 C   -1.949800     -0.4145000      0.4998000    
 C   -2.971700       1.402400     -0.8758000    
 C   0.5785000       1.753300     -0.9187000    
 C   -4.410300     -0.2470000      0.2419000    
 C    1.757000      0.9485000     -0.5723000    
 C    1.994500     -0.2515000      -1.236300    
 C    2.629400       1.390300      0.4184000    
 C    3.748600      0.6257000      0.7479000    
 C    3.113600      -1.016100     -0.9069000    
 C    3.990800     -0.5776000      8.5100003E-02
 C   -5.701000      -2.091500      0.7520000    
 C   -6.703200     -0.1158000      1.1500000E-02
 C   -6.863400      -1.420000      0.4332000    
 C    4.317400      0.6533000       3.056900    
 C    2.765700      -3.367100     -0.9967000    
 C    6.284400      -1.062300     -0.3155000    
 H   -1.022000       1.087600       1.759000    
 H   0.1071000     -5.3300001E-02   1.030400    
 H   -1.607400       3.018800      -1.323100    
 H   -2.025500       2.889400      0.3899000    
 H   -1.672900      -1.061200     -0.3420000    
 H   -2.128400      -1.052500       1.373400    
 H   -3.858700       2.037900     -0.9763000    
 H   -2.792300      0.9249000      -1.847300    
 H    1.312200     -0.5957000      -2.009900    
 H    2.442800       2.327900      0.9365000    
 H   -5.726700      -3.120900       1.093200    
 H   -7.559600      0.4917000     -0.2609000    
 H   -7.836900      -1.885400      0.5090000    
 H    4.350200     -0.4377000       3.139900    
 H    3.338500       1.025200       3.375600    
 H    5.083100       1.077000       3.712400    
 H    3.037500      -4.217300      -1.628200    
 H    1.674400      -3.286300     -0.9687000    
 H    3.155700      -3.540700      1.1100000E-02
 H    6.139700      -1.249700      -1.384100    
 H    7.061900      -1.736100      5.4900002E-02
 H    6.611500     -2.9999999E-02 -0.1562000    


%chk=000049887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049887

0 1
O 0.346715 1.518080 -2.519176
O 3.577410 0.676589 2.369377
O 4.420460 -1.592510 -1.958549
O 5.314762 -0.943928 0.709145
N -0.852913 1.100161 -0.565119
N -3.486969 0.038279 -0.260620
N -5.736323 0.759207 -0.244853
N -4.892047 -0.824284 1.432031
C -1.167229 0.243083 0.600119
C -2.020042 1.845663 -1.094830
C -2.338913 -0.716939 0.268256
C -3.187506 0.889755 -1.428825
C 0.310345 1.039937 -1.337898
C -4.736316 -0.009791 0.323853
C 1.553419 0.436872 -0.730256
C 2.382177 -0.350042 -1.564800
C 1.962636 0.721378 0.594987
C 3.201865 0.249133 1.083918
C 3.603670 -0.849629 -1.076206
C 4.047937 -0.524442 0.239271
C -6.134282 -0.864312 1.979854
C -6.959460 0.684132 0.339934
C -7.227481 -0.124425 1.470254
C 4.046383 -0.355803 3.320448
C 4.725338 -2.975366 -1.524462
C 6.453996 -0.275445 0.027117
H -1.452328 0.880002 1.461127
H -0.282699 -0.348368 0.878727
H -1.692408 2.379708 -2.000967
H -2.349210 2.575914 -0.329926
H -2.001579 -1.449798 -0.493527
H -2.667153 -1.258834 1.168517
H -4.096999 1.452267 -1.687697
H -2.901848 0.248946 -2.286943
H 2.091892 -0.556165 -2.598454
H 1.363981 1.355231 1.256249
H -6.246245 -1.513040 2.856629
H -7.743805 1.297408 -0.119183
H -8.219362 -0.172199 1.924167
H 4.930364 -0.882627 2.926417
H 3.233337 -1.078593 3.527867
H 4.296113 0.197548 4.238378
H 5.387279 -3.384292 -2.302807
H 3.793760 -3.570477 -1.473692
H 5.230928 -2.980537 -0.542408
H 6.417572 -0.467227 -1.059909
H 7.360186 -0.717864 0.468153
H 6.424994 0.811445 0.225112


