%chk=000090252.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090252

0 1
 O   -2.044700      -5.305500      0.6952000    
 N  -0.6871000      -1.922200      0.1538000    
 N    1.870600     -0.7366000      0.4178000    
 C   -1.317100     -0.6580000     -0.2238000    
 C   0.3994000      -2.247600     -0.7711000    
 C   -1.675500      -2.999400      0.1788000    
 C   -2.455000     -0.3053000      0.7347000    
 C    1.464600      -1.202100     -0.7856000    
 C   -3.128200      0.9861000      0.3431000    
 C   -1.046900      -4.293300      0.6709000    
 C    1.971600     -0.7694000      -1.994000    
 C    2.829500      0.2082000      0.4444000    
 C    3.409200      0.7138000     -0.7379000    
 C    2.959500      0.2042000      -1.963400    
 C   -2.657400       2.183500      0.8603000    
 C   -4.207100      0.9550000     -0.5276000    
 C    3.276800      0.7148000       1.661700    
 C    4.408000       1.700200     -0.6731000    
 C   -3.280100       3.378000      0.4982000    
 C   -4.829700       2.149600     -0.8896000    
 C   -4.366200       3.361100     -0.3768000    
 C    4.269700       1.695500       1.726400    
 C    4.836200       2.189100      0.5579000    
 H  -0.6002000      0.1710000     -0.1965000    
 H   -1.701000     -0.7070000      -1.252600    
 H   5.7999999E-03  -2.417200      -1.782500    
 H   0.9293000      -3.157900     -0.4753000    
 H   -2.143400      -3.151000     -0.8031000    
 H   -2.488800      -2.812000      0.8842000    
 H   -2.080100     -0.2298000       1.764000    
 H   -3.251900      -1.054300      0.7562000    
 H  -0.6486000      -4.184500       1.684900    
 H  -0.2548000      -4.677200      2.5300000E-02
 H    1.623200      -1.164900      -2.941600    
 H    3.377100      0.5636000      -2.901200    
 H   -1.810900       2.207000       1.540600    
 H   -4.574300      1.7500000E-02 -0.9354000    
 H    2.848600      0.3448000       2.591400    
 H    4.858100       2.093400      -1.581900    
 H   -2.918800       4.321400      0.8970000    
 H   -5.674900       2.136600      -1.571600    
 H   -2.370900      -5.419800     -0.2138000    
 H   -4.850800       4.291100     -0.6590000    
 H    4.597700       2.071300       2.691300    
 H    5.608000       2.951300      0.6041000    


%chk=000090252-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090252

0 1
O -0.809620 -4.068391 2.251053
N -1.008946 -1.980605 -0.956955
N 2.154683 -1.460421 -0.219912
C -2.049169 -0.959681 -1.044964
C 0.233770 -1.828126 -1.721307
C -1.155202 -3.094649 -0.017364
C -2.048143 0.153639 0.066888
C 1.296478 -0.906508 -1.104562
C -3.124123 1.191166 -0.197969
C -0.519589 -2.905342 1.388409
C 1.352471 0.486173 -1.461129
C 3.110275 -0.648561 0.379292
C 3.227191 0.765473 0.079551
C 2.309776 1.313496 -0.875682
C -2.842257 2.353886 -0.962970
C -4.455867 0.990026 0.252161
C 4.013482 -1.236770 1.321595
C 4.240030 1.539749 0.731794
C -3.856771 3.289393 -1.266921
C -5.474530 1.921761 -0.049081
C -5.178828 3.075717 -0.811741
C 4.991519 -0.456856 1.944381
C 5.106599 0.939899 1.648877
H -1.962840 -0.455013 -2.029397
H -3.045682 -1.449979 -1.025699
H -0.014721 -1.447267 -2.734413
H 0.692814 -2.828670 -1.835627
H -0.711796 -4.008920 -0.472249
H -2.235474 -3.299498 0.125897
H -1.047280 0.621723 0.092823
H -2.213023 -0.332114 1.046693
H -0.978027 -2.052499 1.914754
H 0.569574 -2.727395 1.295213
H 0.645385 0.876827 -2.201470
H 2.373680 2.376181 -1.138536
H -1.816045 2.531106 -1.310701
H -4.690897 0.101612 0.852311
H 3.907226 -2.305658 1.531445
H 4.325335 2.609049 0.502527
H -3.617933 4.185005 -1.852319
H -6.495047 1.751891 0.313105
H -0.310416 -4.851537 1.906759
H -5.966568 3.801410 -1.043479
H 5.677700 -0.912907 2.666459
H 5.879304 1.535284 2.147259


