%chk=000039021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039021

0 1
 O   -4.052700       1.358100     -0.2590000    
 N   0.6106000     -1.5600000E-02  0.3487000    
 N    2.490400       3.176700     -0.1416000    
 C  -0.7335000     -0.1258000      8.1100002E-02
 C    1.232000      -1.237700      0.2431000    
 C  -0.9885000      -1.466600     -0.2083000    
 C    1.301200       1.210300      0.6983000    
 C   0.2541000      -2.169300     -0.1061000    
 C   -1.733400      0.8535000      7.4199997E-02
 C    1.826900       1.939800     -0.5346000    
 C   -2.309700      -1.849700     -0.5208000    
 C    2.575300      -1.583800      0.4289000    
 C   -3.034200      0.4493000     -0.2378000    
 C   0.6369000      -3.516200     -0.2791000    
 C   -3.320400     -0.8818000     -0.5312000    
 C   -1.471800       2.293000      0.3836000    
 C    2.929700      -2.924000      0.2519000    
 C    1.976600      -3.877500     -9.7000003E-02
 C    2.964100       3.905100      -1.320100    
 C    3.606000       2.898500      0.7648000    
 C   -4.759500       1.563800      0.9611000    
 H   0.6820000       1.824400       1.348800    
 H    2.122200      0.8992000       1.353100    
 H    2.522400       1.284600      -1.078200    
 H    1.015300       2.148900      -1.239400    
 H   -2.548700      -2.884000     -0.7519000    
 H    3.331600     -0.8528000      0.6929000    
 H  -9.4999999E-02  -4.271500     -0.5512000    
 H   -4.337300      -1.181800     -0.7730000    
 H  -0.6746000       2.717000     -0.2209000    
 H   -2.334300       2.928500      0.1541000    
 H   -1.280900       2.428700       1.452200    
 H    3.965500      -3.225000      0.3869000    
 H    2.274800      -4.914100     -0.2300000    
 H    2.128000       4.142200      -1.987500    
 H    3.708100       3.334400      -1.887500    
 H    3.410900       4.862100      -1.028400    
 H    4.283100       2.129600      0.3748000    
 H    3.260600       2.607000       1.761500    
 H    4.198000       3.807300      0.9297000    
 H   -4.078900       1.855800       1.767100    
 H   -5.303000      0.6563000       1.242400    
 H   -5.482600       2.369300      0.8064000    


%chk=000039021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039021

0 1
O -4.017465 1.563271 0.374913
N 0.706507 0.055807 0.562908
N 2.828459 3.134459 -0.176786
C -0.700558 -0.024499 0.384404
C 1.266668 -1.221702 0.343023
C -1.025844 -1.394722 0.064287
C 1.536683 1.237271 0.835390
C 0.216583 -2.150538 0.039892
C -1.698978 0.982275 0.489335
C 2.049319 1.909529 -0.464337
C -2.365553 -1.768609 -0.156175
C 2.619147 -1.624537 0.397107
C -3.039087 0.549459 0.258686
C 0.531636 -3.506692 -0.206202
C -3.376985 -0.796408 -0.060543
C -1.442686 2.440966 0.834515
C 2.911245 -2.984662 0.150818
C 1.880806 -3.918676 -0.148363
C 2.893607 4.049060 -1.336536
C 4.173364 2.854302 0.369014
C -5.413112 1.201451 0.137217
H 0.972179 1.976921 1.418406
H 2.385319 0.914272 1.465443
H 2.630971 1.163526 -1.063412
H 1.171375 2.193234 -1.073870
H -2.621186 -2.805505 -0.399368
H 3.426237 -0.918094 0.617877
H -0.258210 -4.230113 -0.438171
H -4.418284 -1.082574 -0.229950
H -0.649712 2.887936 0.209021
H -2.363708 3.022548 0.683143
H -1.147015 2.566865 1.893787
H 3.952521 -3.324667 0.187684
H 2.140807 -4.966024 -0.336799
H 1.871892 4.303158 -1.669705
H 3.447794 3.622070 -2.210473
H 3.398319 4.986360 -1.040196
H 4.826654 2.292706 -0.347178
H 4.101327 2.266854 1.300368
H 4.675701 3.806488 0.615498
H -5.765046 0.442826 0.863502
H -5.566263 0.825233 -0.893306
H -5.978128 2.135377 0.277128


