%chk=000049318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049318

0 1
 O  -0.1019000      -1.375400      -2.236600    
 O   0.4068000      0.7604000       1.914300    
 O    3.087700      -2.776900      0.7499000    
 N    1.556300      -2.010200     -0.7839000    
 N    1.809900     -0.9436000       1.289900    
 C   0.4455000      0.1489000     -0.4319000    
 C  -0.9946000      0.6736000     -0.5254000    
 C    1.401500       1.170000      -1.074300    
 C   -1.992700     -0.3213000      6.6600002E-02
 C   0.5701000      -1.144000      -1.231700    
 C   0.8475000      2.1700000E-02   1.034100    
 C   -3.422000      0.2197000      2.0999999E-03
 C    1.416400       2.477100     -0.3330000    
 C   -4.424100     -0.7888000      0.5633000    
 C    2.224100      -1.956900      0.4337000    
 C    2.443400       2.642600      0.7501000    
 C   -5.849500     -0.2683000      0.4702000    
 C   0.5756000       3.471600     -0.6572000    
 H   -1.266100      0.8780000      -1.569400    
 H   -1.124000       1.610800      2.5900001E-02
 H    1.118100       1.338000      -2.123200    
 H    2.426400      0.7764000      -1.122400    
 H   -1.958900      -1.274700     -0.4715000    
 H   -1.750800     -0.5409000       1.112500    
 H   -3.488200       1.157200      0.5676000    
 H   -3.679600      0.4508000      -1.038800    
 H   -4.351500      -1.733600      1.1900000E-02
 H   -4.186800      -1.005700       1.611400    
 H    1.756700      -2.813700      -1.372900    
 H    2.197500     -0.9605000       2.229000    
 H    2.164200       3.437900       1.449900    
 H    2.626700       1.743500       1.337100    
 H    3.401100       2.920100      0.2954000    
 H   -5.965400      0.6611000       1.036900    
 H   -6.549200      -1.004500      0.8782000    
 H   -6.129200     -7.4000001E-02 -0.5701000    
 H  -0.1468000       3.366800      -1.459900    
 H   0.5994000       4.421200     -0.1330000    


%chk=000049318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049318

0 1
O 0.100699 -1.179142 -2.396585
O 0.519015 0.574048 2.074621
O 3.038570 -3.062283 0.673357
N 1.581671 -2.060232 -0.857762
N 1.848691 -1.148786 1.303216
C 0.477796 0.141745 -0.352923
C -0.992713 0.634169 -0.399537
C 1.463690 1.236474 -1.000212
C -2.028649 -0.390652 0.114551
C 0.662347 -1.077439 -1.276300
C 0.909507 -0.114019 1.097125
C -3.468451 0.167631 0.051015
C 1.459339 2.628436 -0.376629
C -4.530520 -0.836164 0.554087
C 2.223371 -2.150243 0.390280
C 2.431048 2.898231 0.758817
C -5.966128 -0.270978 0.494732
C 0.658283 3.604938 -0.883481
H -1.224016 0.893741 -1.449577
H -1.053361 1.558781 0.200289
H 1.145285 1.300944 -2.056795
H 2.492640 0.823991 -0.985364
H -1.976568 -1.318247 -0.490808
H -1.796947 -0.665227 1.163358
H -3.528323 1.096934 0.654780
H -3.704921 0.456378 -0.994424
H -4.471010 -1.763326 -0.051741
H -4.289960 -1.128832 1.596566
H 1.786380 -2.817674 -1.517919
H 2.223409 -1.252875 2.252113
H 2.409450 3.959744 1.058272
H 2.191709 2.292390 1.650964
H 3.467364 2.648327 0.456665
H -6.059587 0.638301 1.118183
H -6.706733 -1.007161 0.857607
H -6.241597 0.003244 -0.541217
H -0.021187 3.418784 -1.723466
H 0.664002 4.620451 -0.471057


