%chk=000178748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178748

0 1
 O    1.747600      -1.983000     -0.3482000    
 N    1.134300      0.2533000      5.1399998E-02
 N   -8.692800     -5.7999998E-02 -1.3500000E-02
 C    3.441200     -0.3426000     -5.2299999E-02
 C    5.858500      -1.056000     -0.1936000    
 C    5.174300      0.7667000       1.409900    
 C    5.156100       1.200800      -1.075000    
 C    4.397500      -1.532800     -0.2672000    
 C    3.715900      0.2827000       1.329900    
 C    3.697800      0.7144000      -1.144500    
 C    6.116600     -0.4289000       1.187400    
 C    6.099400      3.0000000E-03  -1.283300    
 C    5.418800       1.815500      0.3108000    
 C    2.014700     -0.8047000     -0.1356000    
 C  -0.2801000      0.2084000      4.2100001E-02
 C  -0.9968000       1.375800      0.2475000    
 C  -0.9180000      -1.002100     -0.1724000    
 C   -2.390900       1.331300      0.2383000    
 C   -2.312200      -1.046600     -0.1817000    
 C   -3.048600      0.1202000      2.3600001E-02
 C   -4.494900      7.4299999E-02  1.2900000E-02
 C   -5.224900       1.186700     -0.4056000    
 C   -5.158600      -1.081900      0.4229000    
 C   -6.619100       1.142700     -0.4140000    
 C   -6.552800      -1.125700      0.4143000    
 C   -7.283000     -1.3500000E-02 -4.1000000E-03
 H    6.533700      -1.905300     -0.3467000    
 H    5.364900       1.209300       2.394000    
 H    5.334300       1.951000      -1.853400    
 H    4.216000      -2.005300      -1.241700    
 H    4.226700      -2.308400      0.4914000    
 H    3.523800     -0.4529000       2.122300    
 H    3.059400       1.134200       1.543000    
 H    3.042400       1.587700      -1.048600    
 H    3.494500      0.2909000      -2.137200    
 H    5.963000      -1.178300       1.973600    
 H    7.160800     -0.1007000       1.259900    
 H    7.143100      0.3392000      -1.254200    
 H    5.933800     -0.4357000      -2.275000    
 H    4.763400       2.681100      0.4668000    
 H    6.450800       2.183100      0.3675000    
 H    1.511400       1.181300      0.2193000    
 H  -0.4940000       2.323000      0.4222000    
 H  -0.4182000      -1.943700     -0.3455000    
 H   -2.921600       2.259200      0.4330000    
 H   -2.781400      -2.005700     -0.3835000    
 H   -4.751600       2.097300     -0.7622000    
 H   -4.633400      -1.961000      0.7860000    
 H   -7.177400       2.013500     -0.7486000    
 H   -7.059200      -2.030000      0.7423000    
 H   -9.174800     -0.8956000      0.2847000    
 H   -9.222700      0.7487000     -0.3156000    


%chk=000178748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178748

0 1
O 1.773396 -1.984622 -0.364597
N 1.120120 0.202260 0.149362
N -8.938136 -0.015716 -0.091743
C 3.546863 -0.291373 -0.020872
C 5.973070 -1.060725 -0.168445
C 5.358399 0.854499 1.370780
C 5.309448 1.179790 -1.146334
C 4.491606 -1.514699 -0.196936
C 3.872185 0.401102 1.343793
C 3.824432 0.727537 -1.178108
C 6.281894 -0.381323 1.191989
C 6.232089 -0.056452 -1.323410
C 5.613593 1.860633 0.215747
C 2.078549 -0.784236 -0.089589
C -0.300108 0.104464 0.113420
C -1.048693 1.277956 0.401140
C -0.997209 -1.093547 -0.198569
C -2.453894 1.258036 0.376203
C -2.405100 -1.092589 -0.223863
C -3.173639 0.070838 0.059816
C -4.659988 0.050312 0.025032
C -5.413679 1.207579 -0.319781
C -5.395486 -1.129588 0.330477
C -6.819004 1.194880 -0.360715
C -6.800467 -1.159830 0.295401
C -7.542455 0.006153 -0.052944
H 6.624153 -1.947732 -0.296201
H 5.568222 1.341632 2.343635
H 5.484565 1.899418 -1.970517
H 4.256142 -2.025003 -1.148724
H 4.294523 -2.249898 0.605986
H 3.669885 -0.302897 2.174942
H 3.223622 1.287825 1.507134
H 3.166308 1.615957 -1.082254
H 3.588255 0.252889 -2.150638
H 6.121277 -1.100033 2.020339
H 7.343919 -0.066320 1.231333
H 7.294139 0.261021 -1.324089
H 6.033994 -0.542504 -2.299657
H 4.975976 2.759429 0.343562
H 6.667105 2.203363 0.239748
H 1.483692 1.131251 0.374793
H -0.526135 2.209644 0.656939
H -0.428499 -1.996403 -0.425875
H -3.000857 2.170855 0.636766
H -2.917927 -2.019614 -0.504021
H -4.889694 2.130013 -0.595931
H -4.858698 -2.036093 0.632722
H -7.364675 2.103616 -0.644318
H -7.332272 -2.085473 0.548844
H -9.451555 -0.866537 0.117331
H -9.465550 0.817153 -0.335303


