%chk=000090658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090658

0 1
 O    2.255800      -1.744400      0.8111000    
 N    3.552100      2.5200000E-02  5.8400001E-02
 C   -2.760000     -0.5595000      0.1482000    
 C   -1.446800      0.1670000     -0.1564000    
 C   -4.004100      0.2392000     -0.2501000    
 C  -0.2038000     -0.6201000      0.2636000    
 C   -5.284900     -0.5202000      0.1056000    
 C    1.076700      0.1566000     -5.1899999E-02
 C   -6.564700      0.2461000     -0.2427000    
 C    2.336300     -0.6171000      0.3160000    
 C    4.803200     -0.6492000      0.3818000    
 C    3.697300       1.356100     -0.5268000    
 C   -7.878100     -0.4550000      0.1127000    
 C    5.328400      -1.485800     -0.7787000    
 C    3.727100       2.454500      0.5294000    
 C   -9.114200      0.3713000     -0.2051000    
 C    6.623600      -2.211200     -0.4422000    
 C    3.856300       3.846400     -7.2999999E-02
 H   -2.802300     -0.7817000       1.221800    
 H   -2.765700      -1.523700     -0.3750000    
 H   -1.396500      0.3775000      -1.231900    
 H   -1.448900       1.137200      0.3560000    
 H   -3.982600      0.4427000      -1.327300    
 H   -3.997500       1.208100      0.2634000    
 H  -0.1909000      -1.586800     -0.2548000    
 H  -0.2498000     -0.8366000       1.338000    
 H   -5.293500      -1.484400     -0.4174000    
 H   -5.287700     -0.7430000       1.179800    
 H    1.068000       1.106200      0.4914000    
 H    1.100700      0.3634000      -1.127300    
 H   -6.562600      0.4639000      -1.318300    
 H   -6.538400       1.217200      0.2681000    
 H    5.545000      9.6299998E-02  0.6909000    
 H    4.636300      -1.302800       1.246500    
 H    4.614200       1.380100      -1.127800    
 H    2.874400       1.543900      -1.221900    
 H   -7.880000     -0.6963000       1.182300    
 H   -7.936200      -1.407200     -0.4275000    
 H    4.573300      -2.224200      -1.074800    
 H    5.495800     -0.8469000      -1.653900    
 H    4.567700       2.286900       1.213400    
 H    2.821600       2.416900       1.144800    
 H   -9.107100       1.314200      0.3508000    
 H   -10.02020     -0.1788000      6.7900002E-02
 H   -9.164300      0.6030000      -1.273600    
 H    7.412700      -1.499400     -0.1803000    
 H    6.481200      -2.893400      0.4020000    
 H    6.964500      -2.797900      -1.300900    
 H    4.777200       3.934700     -0.6581000    
 H    3.008600       4.067800     -0.7292000    
 H    3.881300       4.601900      0.7184000    


%chk=000090658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090658

0 1
O 2.292547 -1.767554 0.665541
N 3.569178 0.057542 0.014575
C -2.789066 -0.544676 0.174872
C -1.490373 0.210872 -0.187137
C -4.073043 0.231932 -0.194142
C -0.213040 -0.562490 0.207239
C -5.371556 -0.533918 0.146391
C 1.072895 0.190595 -0.187286
C -6.656163 0.249015 -0.207447
C 2.345536 -0.583272 0.198695
C 4.804535 -0.677348 0.378529
C 3.726324 1.424864 -0.522781
C -7.954894 -0.521587 0.123218
C 5.348309 -1.549302 -0.777822
C 3.862010 2.511278 0.574052
C -9.232903 0.271747 -0.225885
C 6.655031 -2.270303 -0.384597
C 4.094560 3.913296 -0.028312
H -2.793151 -0.764597 1.262892
H -2.793871 -1.528156 -0.339493
H -1.481104 0.413179 -1.279557
H -1.495337 1.203060 0.312559
H -4.061036 0.465990 -1.279611
H -4.075081 1.208734 0.333853
H -0.208427 -1.560541 -0.268811
H -0.205182 -0.750746 1.297679
H -5.374715 -1.505316 -0.391087
H -5.378825 -0.778979 1.229310
H 1.080981 1.193976 0.284457
H 1.072517 0.365673 -1.284048
H -6.647036 0.501013 -1.288920
H -6.657905 1.217108 0.336343
H 5.568986 0.060433 0.691770
H 4.573238 -1.326325 1.241489
H 4.630358 1.441342 -1.164094
H 2.873556 1.669618 -1.179721
H -7.960752 -0.778222 1.202430
H -7.955123 -1.485945 -0.424852
H 4.571799 -2.289014 -1.045727
H 5.520225 -0.916510 -1.671943
H 4.700407 2.245240 1.246828
H 2.947608 2.511750 1.198583
H -9.270602 1.226569 0.332040
H -10.146541 -0.300120 0.020812
H -9.266564 0.513682 -1.305172
H 7.453223 -1.547776 -0.127299
H 6.496140 -2.924610 0.492858
H 7.026465 -2.901862 -1.211577
H 5.023847 3.942446 -0.628231
H 3.258426 4.208913 -0.689990
H 4.182091 4.678001 0.763927


