%chk=000037319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037319

0 1
 N   -1.634600      0.1555000     -0.8441000    
 N    2.310300       1.550900     -0.3343000    
 N   -1.210500       1.441000     -0.8738000    
 N    1.064300      0.9494000     -0.4839000    
 N   0.2642000       3.185800     -0.7766000    
 C   -4.880200     -0.8788000      0.2205000    
 C   -4.950200      0.5581000      0.3826000    
 C   -3.609000      -1.226200     -0.2687000    
 C   -3.723100       1.128100     -3.1999999E-03
 C    5.245600     -0.3842000      0.2688000    
 C    4.220800      -1.403400      0.1855000    
 C    4.656600      0.8784000      8.1699997E-02
 C    2.977000     -0.7909000     -5.4800000E-02
 C   -2.845400      2.1800000E-02 -0.4235000    
 C    3.216500      0.6611000     -0.1268000    
 C   -5.815900      -1.869600      0.4615000    
 C   -5.976800       1.372600      0.8283000    
 C   -3.230100      -2.528300     -0.5290000    
 C   -3.480300       2.487100      3.9099999E-02
 C    6.608700     -0.4785000      0.4887000    
 C    4.298200      -2.780500      0.3011000    
 C    5.374700       2.057500      0.1050000    
 C    1.801600      -1.504500     -0.1849000    
 C   -5.455700      -3.198400      0.2054000    
 C   -5.753200       2.753500      0.8795000    
 C   -4.176500      -3.523500     -0.2845000    
 C   -4.518200       3.304100      0.4890000    
 C    7.359200      0.7033000      0.5168000    
 C    3.119300      -3.524200      0.1727000    
 C    6.748400       1.957400      0.3270000    
 C    1.884800      -2.892500     -6.7699999E-02
 C   0.1095000       1.818100     -0.6974000    
 H   -6.806200      -1.637600      0.8389000    
 H   -6.934800      0.9652000       1.133700    
 H   -2.244400      -2.775300     -0.9053000    
 H   -2.572300       3.020200     -0.1799000    
 H    7.096300      -1.436100      0.6369000    
 H    5.241200      -3.283900      0.4862000    
 H    4.901600       3.021200     -4.1400000E-02
 H   0.8090000      -1.130200     -0.3681000    
 H   -6.174600      -3.993200      0.3874000    
 H   -6.544200       3.412200       1.228900    
 H   -3.925500      -4.564000     -0.4736000    
 H   -4.371800       4.379500      0.5516000    
 H    8.431500      0.6531000      0.6879000    
 H    3.156300      -4.607100      0.2598000    
 H    7.356800       2.857500      0.3542000    
 H   0.9865000      -3.497600     -0.1625000    
 H   -1.731800       2.038900      -1.511800    
 H  -0.5222000       3.800500     -0.9546000    
 H    1.176200       3.615600     -0.6670000    


%chk=000037319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037319

0 1
N -1.696237 0.643440 0.403935
N 2.408200 1.376023 0.174365
N -1.137490 1.879480 0.211985
N 1.053572 0.988306 0.052154
N 0.695188 3.346012 0.386464
C -5.026861 -0.746270 0.409106
C -5.353517 0.628068 -0.018426
C -3.611206 -0.834523 0.572126
C -4.134627 1.388670 -0.117804
C 5.435995 -0.589758 -0.158173
C 4.422980 -1.638785 -0.406317
C 4.749223 0.642674 0.084525
C 3.117603 -1.046413 -0.314522
C -3.008097 0.486288 0.269164
C 3.287679 0.398621 -0.006711
C -5.843271 -1.869370 0.649213
C -6.596209 1.213652 -0.323520
C -2.997692 -2.034407 0.977402
C -4.190359 2.734519 -0.550069
C 6.842942 -0.637442 -0.130544
C 4.567231 -3.008639 -0.692334
C 5.461937 1.825448 0.355533
C 1.957764 -1.827501 -0.507853
C -5.228581 -3.079807 1.053151
C -6.638030 2.566616 -0.738606
C -3.820622 -3.161492 1.215310
C -5.444398 3.318192 -0.856594
C 7.560421 0.554600 0.141979
C 3.400712 -3.790823 -0.888330
C 6.877440 1.774080 0.382973
C 2.112983 -3.206800 -0.796983
C 0.254486 2.046040 0.235201
H -6.931108 -1.817100 0.528955
H -7.521412 0.632356 -0.246986
H -1.911827 -2.082446 1.104168
H -3.297678 3.354768 -0.691122
H 7.381056 -1.573998 -0.314908
H 5.558665 -3.469661 -0.764812
H 4.927981 2.762534 0.541932
H 0.974399 -1.358595 -0.431913
H -5.845865 -3.964620 1.244408
H -7.598606 3.034960 -0.979065
H -3.367776 -4.108243 1.529592
H -5.488708 4.359155 -1.194252
H 8.655872 0.535154 0.167383
H 3.496194 -4.859304 -1.113489
H 7.452463 2.683076 0.592245
H 1.225056 -3.829634 -0.953847
H -1.712164 2.707440 0.020313
H 0.134729 4.069407 0.830386
H 1.717168 3.425151 0.364510


