%chk=000049811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049811

0 1
 O    1.147000     -0.4421000       1.853500    
 N    3.166800     -0.3772000     -1.4900000E-02
 C  -0.9634000       1.189900      1.8600000E-02
 C   -1.540100      -1.093800      0.1614000    
 C   -2.280900       1.497900     -0.3757000    
 C   -2.857500     -0.7858000     -0.2330000    
 C  -0.5679000     -0.1126000      0.2820000    
 C  -0.1159000       2.424000      3.8699999E-02
 C   -1.377300      -2.570000      0.3512000    
 C   -2.420400       2.963000     -0.6519000    
 C   -3.681600      -2.031200     -0.3397000    
 C   -1.187900       3.523100      7.2800003E-02
 C   -2.840100      -3.018600      0.4823000    
 C   -3.246800      0.5138000     -0.5194000    
 C   0.8000000     -0.4348000      0.6538000    
 C    1.827400     -0.7698000     -0.4393000    
 C    3.222500       1.061600      0.2478000    
 C    4.156800     -0.7477000      -1.027300    
 C    4.618500       1.458400      0.6881000    
 C    4.140800      -2.248000      -1.248900    
 H   0.5231000       2.486100      0.9228000    
 H   0.4851000       2.486500     -0.8738000    
 H  -0.9060000      -3.013900     -0.5319000    
 H  -0.8064000      -2.822700       1.249100    
 H   -2.364700       3.149600      -1.729300    
 H   -3.346000       3.379800     -0.2454000    
 H   -4.681800      -1.909600      8.5199997E-02
 H   -3.752600      -2.347000      -1.385500    
 H  -0.8367000       4.462300     -0.3658000    
 H   -1.452200       3.734500       1.118500    
 H   -3.141600      -2.955000       1.537300    
 H   -2.988500      -4.056300      0.1677000    
 H   -4.253500      0.7477000     -0.8443000    
 H    1.536100     -0.2750000      -1.374100    
 H    1.733200      -1.852400     -0.5717000    
 H    2.936500       1.648900     -0.6338000    
 H    2.555200       1.348400       1.064100    
 H    3.991700     -0.2254000      -1.977900    
 H    5.173100     -0.5185000     -0.6928000    
 H    5.013700      0.7877000       1.458900    
 H    5.326700       1.508400     -0.1449000    
 H    4.589500       2.464600       1.122600    
 H    4.160100      -2.802200     -0.3040000    
 H    3.279400      -2.577300      -1.838300    
 H    5.031700      -2.543400      -1.815300    


%chk=000049811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049811

0 1
O 1.197296 -0.803224 1.640041
N 3.276204 -0.084543 -0.133152
C -1.107748 1.171950 -0.449596
C -1.494344 -1.034226 0.528251
C -2.471238 1.217912 -0.848660
C -2.845964 -0.980216 0.097011
C -0.584606 0.028605 0.230857
C -0.427841 2.488388 -0.839634
C -1.232715 -2.358492 1.243798
C -2.791031 2.529822 -1.552588
C -3.584179 -2.259645 0.467497
C -1.619065 3.454811 -1.114702
C -2.663047 -2.898393 1.549293
C -3.343551 0.139194 -0.600155
C 0.862330 -0.121575 0.628823
C 1.946515 0.529364 -0.262038
C 3.989360 0.302452 1.116849
C 4.105348 0.081897 -1.356092
C 4.987663 -0.772962 1.582967
C 3.673367 -0.840278 -2.512901
H 0.246885 2.881562 -0.058482
H 0.183977 2.357437 -1.755911
H -0.678637 -3.047833 0.573181
H -0.612778 -2.235452 2.143445
H -2.790694 2.387669 -2.653015
H -3.781782 2.935884 -1.280100
H -4.611881 -2.076298 0.830478
H -3.668159 -2.920559 -0.419833
H -1.374410 4.225934 -1.865789
H -1.892751 3.972171 -0.176337
H -2.976810 -2.547665 2.550291
H -2.708368 -4.001349 1.552094
H -4.389714 0.178083 -0.927171
H 1.961830 1.625794 -0.023487
H 1.609771 0.456183 -1.311532
H 4.511821 1.285838 0.990311
H 3.229675 0.428951 1.904814
H 4.118335 1.147468 -1.704451
H 5.146491 -0.166223 -1.081857
H 4.447611 -1.716337 1.770107
H 5.775309 -0.967776 0.831783
H 5.487235 -0.456043 2.517772
H 3.708382 -1.894083 -2.186994
H 2.644386 -0.626417 -2.856413
H 4.346622 -0.711881 -3.381276


