%chk=000121519.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121519

1 1
 O   -1.837000      -2.279200      0.2112000    
 N    2.296100     -0.5453000      6.8999998E-02
 N   -1.425600     -3.5399999E-02  0.6955000    
 C    3.287200     -0.4326000      -1.138400    
 C    2.810800      0.5350000       1.033200    
 C    4.638300     -0.1716000     -0.4473000    
 C    4.330800      0.4902000      0.9015000    
 C   0.8365000     -0.2875000     -0.2868000    
 C    2.358200      -1.911600      0.7709000    
 C    3.308600      -1.708400      -1.988200    
 C    2.926700      0.7617000      -2.046300    
 C    4.958400       1.870700       1.042600    
 C  -1.3300000E-02 -0.3278000      0.9696000    
 C   -1.826500       1.314700      0.6892000    
 C   -2.263600      -1.144300      0.4462000    
 C   -3.769300     -0.9006000      0.5585000    
 C   -2.882700       1.813900      1.1600000E-02
 C  -0.9698000       2.294300       1.463200    
 C   -4.195900     -0.1362000     -0.6552000    
 C   -3.778800       1.116400     -0.8921000    
 C   -4.546200      -2.212600      0.6799000    
 C   -4.242800       1.896000      -2.088100    
 H    2.487900      0.3146000       2.055600    
 H    2.395500       1.498200      0.7174000    
 H    5.308400      0.4329000      -1.069500    
 H    5.168000      -1.114900     -0.2626000    
 H    4.738500     -0.1446000       1.699100    
 H   0.7607000      0.7002000     -0.7505000    
 H   0.5276000      -1.042500      -1.018100    
 H    1.795100      -2.639300      0.1794000    
 H    3.403700      -2.221900      0.8492000    
 H    1.958800      -1.831500       1.785200    
 H    3.983300      -1.587200      -2.843900    
 H    3.665100      -2.580900      -1.432200    
 H    2.314700      -1.942300      -2.383900    
 H    2.833600       1.702500      -1.495700    
 H    3.707000      0.9128000      -2.802200    
 H    1.994500      0.5887000      -2.594900    
 H    6.049300       1.807900      0.9711000    
 H    4.607700       2.551900      0.2602000    
 H    4.708300       2.311700       2.013200    
 H  -2.4999999E-03  -1.334400       1.400300    
 H   0.3538000      0.3113000       1.773300    
 H   -3.970900     -0.3252000       1.471200    
 H   -3.076900       2.884600      7.1699999E-02
 H  -0.8675000       1.979500       2.507400    
 H   -1.412300       3.297100       1.489100    
 H   2.0400001E-02   2.403500       1.010400    
 H   -4.876700     -0.6144000      -1.355200    
 H   -4.406800      -2.852600     -0.1992000    
 H   -4.211800      -2.779400       1.555900    
 H   -5.619600      -2.023000      0.7916000    
 H   -3.387900       2.207400      -2.698200    
 H   -4.792700       2.791000      -1.777700    
 H   -4.907200       1.306900      -2.729700    


%chk=000121519-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121519

1 1
O -1.112082 -1.962146 0.543595
N 2.226760 -0.309259 0.200504
N -1.459150 0.291086 0.999501
C 3.008176 -0.401452 -1.217371
C 3.155905 0.588943 1.025745
C 4.486872 -0.518451 -0.732942
C 4.590939 0.108588 0.701890
C 0.816334 0.272799 0.050364
C 2.146129 -1.698893 0.843094
C 2.515438 -1.603133 -2.041999
C 2.793266 0.902677 -2.023316
C 5.622557 1.249672 0.821922
C -0.019605 0.313270 1.359821
C -2.224755 1.508925 0.999022
C -1.935269 -0.995507 0.635565
C -3.436005 -1.107124 0.369203
C -3.175639 1.799076 0.042882
C -1.897928 2.509470 2.097402
C -3.680041 -0.399821 -0.957352
C -3.602243 0.964550 -1.085085
C -3.906311 -2.571645 0.368953
C -4.016833 1.680101 -2.360555
H 2.888050 0.509975 2.091334
H 2.995433 1.629047 0.695572
H 5.143761 0.015492 -1.439922
H 4.815850 -1.571915 -0.728291
H 4.872135 -0.684566 1.419283
H 0.917776 1.286367 -0.365835
H 0.295292 -0.372945 -0.672568
H 1.268756 -2.229287 0.444166
H 3.073525 -2.250494 0.642580
H 2.030717 -1.584306 1.930850
H 3.067141 -1.608705 -2.998458
H 2.705061 -2.573204 -1.556584
H 1.441266 -1.533467 -2.288571
H 3.084417 1.814262 -1.473698
H 3.441639 0.848389 -2.914931
H 1.758838 1.013433 -2.388562
H 6.639621 0.877594 0.609894
H 5.405487 2.065570 0.107211
H 5.634699 1.679554 1.839868
H 0.179429 -0.575180 1.978666
H 0.200316 1.215651 1.948214
H -3.955540 -0.536180 1.167586
H -3.635705 2.793512 0.117697
H -1.835803 2.020036 3.086768
H -2.691329 3.271321 2.150922
H -0.947429 3.052081 1.926040
H -3.963032 -1.026838 -1.812684
H -3.358097 -3.162535 -0.384309
H -3.739448 -3.047184 1.350188
H -4.985156 -2.618316 0.139748
H -3.189003 2.280058 -2.782879
H -4.850080 2.381277 -2.161341
H -4.355904 0.968179 -3.131296


