%chk=000115687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115687

0 1
 O   -1.169000     -0.1067000      0.7433000    
 O  -0.6740000      0.4221000      -1.479500    
 O    2.842400       1.092600     -0.9091000    
 O    1.701500      -4.038600      0.7681000    
 N   -4.461900      -1.352600     -0.3623000    
 C  -0.1437000      0.4284000     -0.1323000    
 C   -2.368000     -0.1453000     -3.6899999E-02
 C   -1.859400     -0.3700000      -1.434300    
 C   0.1338000       1.879600      0.2668000    
 C    1.085600     -0.4951000     -0.1014000    
 C   -3.294500      -1.231900      0.4652000    
 C    1.085600       2.635700     -0.4424000    
 C    2.396200     -0.1272000     -0.4723000    
 C    1.909700       1.980000      -1.508300    
 C  -0.5598000       2.510100       1.317000    
 C   0.8928000      -1.840900      0.2973000    
 C    1.318600       3.979400     -0.1075000    
 C    3.449900      -1.057200     -0.3763000    
 C    1.942300      -2.759700      0.3708000    
 C  -0.3239000       3.847700       1.642800    
 C   0.6124000       4.583700      0.9281000    
 C    3.227100      -2.364300      4.0700000E-02
 C   -5.230900     -9.7999997E-02 -0.3931000    
 C   -5.332400      -2.448800      9.2799999E-02
 C    2.819700      -4.923400      0.8230000    
 H   -2.814000      0.8512000      5.8400001E-02
 H   -1.576900      -1.412200      -1.619500    
 H   -2.555500     -4.6799999E-02  -2.212700    
 H   -3.552200      -1.028400       1.513900    
 H   -2.741300      -2.180700      0.4855000    
 H    1.314300       1.484200      -2.282000    
 H    2.495700       2.736000      -2.044700    
 H   -1.303000       1.975900       1.903000    
 H  -9.9100001E-02  -2.202200      0.5613000    
 H    2.062400       4.560400     -0.6472000    
 H    4.462500     -0.7584000     -0.6427000    
 H  -0.8747000       4.312100       2.455600    
 H   0.7988000       5.622800       1.181500    
 H    4.093700      -3.014500      7.8100003E-02
 H   -4.704300      0.6922000     -0.9366000    
 H   -5.477800      0.2603000      0.6129000    
 H   -6.171300     -0.2422000     -0.9389000    
 H   -6.183700      -2.571600     -0.5859000    
 H   -5.714700      -2.275900       1.105300    
 H   -4.785800      -3.398300      8.5800000E-02
 H    3.557700      -4.593400       1.561900    
 H    3.262900      -5.073400     -0.1673000    
 H    2.445700      -5.896800       1.156900    


%chk=000115687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115687

0 1
O -1.272084 0.221964 0.703248
O -0.761251 0.823016 -1.524295
O 2.718606 1.015680 -1.430358
O 1.337013 -3.786429 1.196044
N -4.427466 -1.513644 -0.440723
C -0.165204 0.693975 -0.148550
C -2.484267 0.014879 -0.142472
C -1.897753 -0.122572 -1.555757
C 0.292012 2.081736 0.297285
C 0.969736 -0.348454 -0.153459
C -3.224702 -1.224469 0.378041
C 1.252642 2.786854 -0.479586
C 2.247683 -0.135144 -0.767655
C 1.810249 2.153605 -1.733613
C -0.208042 2.653455 1.486581
C 0.743340 -1.589259 0.486360
C 1.682750 4.064242 -0.054846
C 3.219959 -1.162731 -0.724340
C 1.717300 -2.607828 0.520688
C 0.225413 3.933847 1.900352
C 1.169988 4.644958 1.127584
C 2.975049 -2.396189 -0.093001
C -5.549918 -0.589825 -0.166774
C -4.849302 -2.927273 -0.332901
C 2.338457 -4.847458 1.292093
H -3.105794 0.928546 -0.070121
H -1.549765 -1.156461 -1.747124
H -2.570936 0.209002 -2.358118
H -3.467080 -1.081663 1.460575
H -2.537424 -2.087518 0.308493
H 1.005084 1.794275 -2.397372
H 2.463853 2.853515 -2.277375
H -0.933356 2.085951 2.075535
H -0.205882 -1.750265 1.001117
H 2.425675 4.604832 -0.653520
H 4.182625 -0.962646 -1.204878
H -0.171008 4.371764 2.823252
H 1.508470 5.637768 1.444155
H 3.757519 -3.160622 -0.084894
H -5.246394 0.455312 -0.347810
H -5.927353 -0.662952 0.884874
H -6.387979 -0.817367 -0.849055
H -5.692693 -3.113057 -1.021779
H -5.177102 -3.215279 0.697794
H -4.016161 -3.589592 -0.625945
H 3.242641 -4.503135 1.832375
H 2.629677 -5.223664 0.291047
H 1.852677 -5.653781 1.861627


