%chk=000154558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154558

0 1
 O   0.9953000      -2.023700       1.544900    
 N   -1.442200      -1.927300     -0.1062000    
 N    1.926000      -1.775000     -0.5657000    
 C  -0.2738000      -2.757300     -0.3884000    
 C   -1.232400     -0.5644000     -0.5706000    
 C   0.9281000      -2.149700      0.3239000    
 C  -0.5099000      -4.182400      9.6100003E-02
 C   -2.436600      0.2853000     -0.2725000    
 C    3.174100      -1.185300     -0.1395000    
 C    3.057900      0.3127000     -8.4799998E-02
 C   -3.457600      0.3802000      -1.209300    
 C   -2.513300      0.9654000      0.9360000    
 C    3.365300       1.065700      -1.210700    
 C    2.645000      0.9257000       1.091000    
 C   -4.574500       1.168800     -0.9329000    
 C   -3.630200       1.754000       1.212500    
 C   -4.660800       1.855700      0.2779000    
 C    3.257900       2.455500      -1.159900    
 C    2.537500       2.315500       1.141900    
 C    2.844000       3.080400      1.6300000E-02
 H  -0.1056000      -2.796500      -1.471600    
 H   -2.258400      -2.328700     -0.5681000    
 H   -1.035600     -0.5470000      -1.650800    
 H  -0.3698000     -8.4799998E-02 -9.3599997E-02
 H   -1.358600      -4.640700     -0.4231000    
 H  -0.7119000      -4.216100       1.172900    
 H   0.3742000      -4.802700     -8.8500001E-02
 H    3.948300      -1.490600     -0.8522000    
 H    3.458800      -1.587500      0.8397000    
 H    1.783000      -1.896000      -1.563700    
 H   -3.401500     -0.1518000      -2.155000    
 H   -1.717300      0.8923000       1.671800    
 H    3.686800      0.5890000      -2.132500    
 H    2.407000      0.3426000       1.975800    
 H   -5.377200       1.247700      -1.660300    
 H   -3.697700       2.288600       2.155600    
 H   -5.530500       2.469600      0.4933000    
 H    3.495900       3.051100      -2.036400    
 H    2.215600       2.802200       2.057900    
 H    2.760200       4.162500      5.5900000E-02


%chk=000154558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154558

0 1
O 0.984959 -2.095649 1.651506
N -1.480947 -1.964425 -0.136809
N 1.957485 -1.692166 -0.425714
C -0.273859 -2.764863 -0.379397
C -1.525323 -0.613820 -0.722224
C 0.930970 -2.151419 0.387506
C -0.499232 -4.207024 0.118860
C -2.736129 0.170318 -0.229009
C 3.181574 -1.073522 0.117782
C 3.257986 0.427457 -0.146053
C -3.493632 0.971105 -1.118608
C -3.102567 0.127746 1.141258
C 4.315294 0.980528 -0.908464
C 2.263345 1.293009 0.380522
C -4.594126 1.725978 -0.649691
C -4.203094 0.877991 1.610203
C -4.952016 1.681536 0.717162
C 4.380410 2.373887 -1.146332
C 2.325566 2.682787 0.144160
C 3.384463 3.228106 -0.621880
H -0.006450 -2.799085 -1.471040
H -2.351106 -2.493653 -0.259316
H -1.518259 -0.618062 -1.841912
H -0.599732 -0.085576 -0.412262
H -1.365767 -4.665729 -0.393572
H -0.686880 -4.188768 1.205400
H 0.386376 -4.836710 -0.074864
H 4.068756 -1.581263 -0.305490
H 3.152561 -1.277378 1.204231
H 1.824921 -1.703140 -1.439152
H -3.222881 1.004134 -2.181731
H -2.517710 -0.504229 1.818683
H 5.092615 0.321128 -1.315686
H 1.451350 0.872232 0.986457
H -5.172338 2.341184 -1.348703
H -4.476586 0.838940 2.670994
H -5.806246 2.263111 1.082256
H 5.204293 2.789607 -1.737467
H 1.554637 3.341225 0.559969
H 3.432815 4.307475 -0.804473


