%chk=000103569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103569

0 1
 O   0.6148000       2.126100       1.110900    
 O   -1.692700       5.325900      0.5982000    
 N   0.1909000      2.7999999E-03  0.2615000    
 N   -1.789400       2.986500      0.5778000    
 C   -1.302900       1.914700     -0.2440000    
 C  -0.9855000       2.588100      -1.565700    
 C    1.332500     -0.6244000      0.8688000    
 C  -0.6681000     -0.8693000     -0.5512000    
 C  -8.7399997E-02   1.369500      0.4348000    
 C    2.569900     -0.5788000     -2.2500001E-02
 C   -1.782300      -1.518900      0.2636000    
 C  -0.6684000       4.034200      -1.186100    
 C    3.779400      -1.269900      0.6161000    
 C   -2.661900      -2.447500     -0.5804000    
 C   -1.449100       4.243000      8.8500001E-02
 C    4.984000      -1.258600     -0.3284000    
 C   -3.730400      -3.127900      0.2792000    
 C    6.213500      -1.963600      0.2483000    
 C   -4.620000      -4.091500     -0.5091000    
 C    7.390500      -2.017300     -0.7134000    
 C   -5.637100      -4.823100      0.3531000    
 H   -2.117000       1.196300     -0.3281000    
 H   -1.874200       2.574100      -2.209300    
 H  -0.1656000       2.118200      -2.117600    
 H    1.081800      -1.658000       1.133800    
 H    1.557000     -0.1043000       1.807900    
 H  -3.6600001E-02  -1.645600      -1.000900    
 H   -1.085600     -0.3098000      -1.393600    
 H    2.345300      -1.056700     -0.9841000    
 H    2.821700      0.4651000     -0.2484000    
 H   -1.338300      -2.094400       1.085600    
 H   -2.407400     -0.7525000      0.7362000    
 H   0.3968000       4.169700     -0.9752000    
 H  -0.9886000       4.735700      -1.960400    
 H   -2.295000       2.847200       1.447200    
 H    4.040400     -0.7655000       1.554000    
 H    3.520400      -2.305900      0.8652000    
 H   -2.036600      -3.210900      -1.058600    
 H   -3.143000      -1.872800      -1.380800    
 H    4.705500      -1.744400      -1.272000    
 H    5.246100     -0.2215000     -0.5721000    
 H   -3.240600      -3.679700       1.091300    
 H   -4.359500      -2.363000      0.7512000    
 H    5.944800      -2.988500      0.5310000    
 H    6.526600      -1.452900       1.166700    
 H   -3.991400      -4.833600      -1.015800    
 H   -5.150100      -3.536800      -1.292400    
 H    7.123800      -2.558500      -1.626700    
 H    7.711400      -1.008900     -0.9931000    
 H    8.238800      -2.529100     -0.2486000    
 H   -5.138400      -5.421800       1.121800    
 H   -6.307600      -4.115100      0.8503000    
 H   -6.244400      -5.494600     -0.2618000    


%chk=000103569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103569

0 1
O 0.735168 2.026794 1.300493
O -1.229029 5.639008 0.441549
N 0.105075 0.020552 0.303234
N -1.631634 3.320436 0.625292
C -1.317454 2.064702 -0.057828
C -1.022932 2.553105 -1.525239
C 1.299058 -0.649735 0.876825
C -0.809497 -0.812096 -0.511919
C -0.079070 1.368071 0.578940
C 2.526963 -0.592575 -0.060367
C -1.877871 -1.558319 0.323777
C -0.549276 4.015766 -1.350422
C 3.760601 -1.291846 0.553160
C -2.733470 -2.516274 -0.535083
C -1.160380 4.467555 -0.012063
C 4.998875 -1.252773 -0.370732
C -3.809381 -3.263783 0.284983
C 6.243766 -1.927382 0.249852
C -4.648546 -4.246508 -0.563343
C 7.474910 -1.890656 -0.681280
C -5.719063 -4.989732 0.264419
H -2.187532 1.384015 -0.034390
H -1.959247 2.521635 -2.110094
H -0.277929 1.915006 -2.028925
H 1.033060 -1.702219 1.096014
H 1.542472 -0.146231 1.828650
H -0.191708 -1.552896 -1.056526
H -1.299360 -0.195261 -1.286093
H 2.279394 -1.064089 -1.034180
H 2.763023 0.469645 -0.262603
H -1.374752 -2.129932 1.129052
H -2.532759 -0.819523 0.828539
H 0.549217 4.090597 -1.256640
H -0.867665 4.687386 -2.163253
H -1.879470 3.352487 1.615232
H 4.010174 -0.807043 1.519505
H 3.512975 -2.349082 0.787464
H -2.070805 -3.257742 -1.029137
H -3.225913 -1.946803 -1.351338
H 4.756755 -1.748571 -1.334245
H 5.239641 -0.197400 -0.615445
H -3.319894 -3.820646 1.111113
H -4.485371 -2.526283 0.765682
H 6.000886 -2.980010 0.502617
H 6.488309 -1.425920 1.208317
H -3.971822 -4.983513 -1.042268
H -5.137670 -3.690853 -1.389378
H 7.266670 -2.411299 -1.635194
H 7.757458 -0.848727 -0.923333
H 8.350746 -2.378022 -0.214772
H -5.253772 -5.573651 1.080971
H -6.429750 -4.277853 0.725070
H -6.301374 -5.690009 -0.361960


