%chk=000158261.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158261

0 1
 O    4.426700      0.9057000     -0.8808000    
 N   -2.488400      -1.225300     -0.3146000    
 N    2.977200     -0.4547000      0.3322000    
 C  -0.6694000      0.1034000      0.5943000    
 C   0.5259000     -0.7476000      7.4999998E-03
 C  -9.1499999E-02   1.539700      0.7575000    
 C    1.746000      0.2046000     -1.5200000E-02
 C    1.405000       1.314700      0.9690000    
 C   -1.926600      4.5600001E-02 -0.2562000    
 C   -1.059200     -0.4490000       2.003700    
 C  -0.3538000       2.432000     -0.4677000    
 C   0.3255000      -1.396500      -1.382600    
 C   -1.838400       2.490100     -0.8429000    
 C   -1.715800      -1.836800       1.941600    
 C   -2.442100       1.116100     -0.8851000    
 C  -0.7063000      -2.535900      -1.418000    
 C   -2.869700      -1.876400      0.9411000    
 C   -2.167500      -2.078900      -1.455600    
 C   -2.637900       3.389000      0.1004000    
 C    4.219100     -4.5899998E-02 -0.1326000    
 C    5.341100     -0.8939000      0.4040000    
 H   0.7568000      -1.565600      0.7026000    
 H  -0.5087000       2.041000       1.639600    
 H    1.869800      0.6366000      -1.015700    
 H    2.000000       2.217500      0.7938000    
 H    1.598900      0.9944000       2.000400    
 H   -1.764900      0.2426000       2.484600    
 H  -0.1815000     -0.4998000       2.659400    
 H   0.2002000       2.059300      -1.338300    
 H   2.9800000E-02   3.442500     -0.2788000    
 H    1.287700      -1.826200      -1.692000    
 H   7.8500003E-02 -0.6374000      -2.135000    
 H   -1.904900       2.920000      -1.850700    
 H  -0.9681000      -2.589400       1.669900    
 H   -2.082300      -2.115700       2.936200    
 H   -3.357700       1.002700      -1.461500    
 H  -0.5250000      -3.131000      -2.321900    
 H  -0.5409000      -3.210700     -0.5705000    
 H   -3.192600      -2.911000      0.7784000    
 H   -3.731400      -1.342200       1.360300    
 H   -2.357900      -1.534300      -2.389100    
 H   -2.827400      -2.954300      -1.475000    
 H    2.937800      -1.215400       1.004600    
 H   -3.678800       3.474300     -0.2320000    
 H   -2.648500       3.002200       1.125200    
 H   -2.214500       4.398700      0.1249000    
 H    6.247100     -0.7188000     -0.1826000    
 H    5.529300     -0.6285000       1.447800    
 H    5.083000      -1.954800      0.3386000    


%chk=000158261-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158261

0 1
O 4.069379 0.020214 -1.532623
N -2.552921 -1.241455 -0.421537
N 3.037508 -0.325854 0.529277
C -0.702190 0.121848 0.652396
C 0.556748 -0.683490 0.095426
C -0.184749 1.590550 0.870426
C 1.762946 0.317277 0.177671
C 1.321280 1.410316 1.180864
C -1.927109 0.060040 -0.265070
C -1.134753 -0.487322 2.032024
C -0.396755 2.486090 -0.376305
C 0.449111 -1.310840 -1.318065
C -1.875033 2.542438 -0.834246
C -1.702418 -1.917936 1.889120
C -2.459489 1.142778 -0.894089
C -0.539717 -2.496056 -1.451335
C -2.863164 -1.923982 0.858746
C -2.030925 -2.063812 -1.541062
C -2.746387 3.466921 0.062886
C 4.111118 -0.425121 -0.343943
C 5.358481 -1.100663 0.222979
H 0.772154 -1.511942 0.803670
H -0.713210 2.049709 1.728931
H 1.938120 0.763904 -0.817616
H 1.902890 2.342459 1.063612
H 1.467471 1.054546 2.221511
H -1.915275 0.165696 2.474469
H -0.274425 -0.482412 2.731501
H 0.214648 2.101872 -1.215733
H -0.030293 3.508767 -0.156525
H 1.464795 -1.653236 -1.600702
H 0.175672 -0.522806 -2.049501
H -1.899667 2.972994 -1.858043
H -0.906201 -2.615866 1.566659
H -2.072148 -2.281011 2.868688
H -3.384444 0.993713 -1.468205
H -0.300603 -3.062833 -2.375487
H -0.396889 -3.202607 -0.607937
H -3.180243 -2.958885 0.631751
H -3.733274 -1.408750 1.317383
H -2.164163 -1.475339 -2.469899
H -2.674286 -2.961329 -1.631434
H 3.133482 -0.704968 1.473646
H -3.799377 3.467098 -0.273900
H -2.734355 3.125786 1.113934
H -2.375604 4.508974 0.030068
H 5.643294 -1.940115 -0.434063
H 6.194478 -0.379687 0.210373
H 5.230196 -1.478972 1.252508


