%chk=000117359.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117359

0 1
 O   -3.783700       2.402300     -0.9905000    
 N    2.382500      0.6752000     -5.1000002E-03
 N  -0.2803000       1.740200      2.5400000E-02
 C    1.234200     -0.1720000     -0.3820000    
 C   6.9700003E-02  0.6752000     -0.9195000    
 C    1.645200      -1.179600      -1.457500    
 C    2.080000       1.901500      0.7449000    
 C   0.8663000       2.638600      0.1767000    
 C    2.739400      -2.084200     -0.9218000    
 C    3.630600      4.6100002E-02  0.1596000    
 C    3.848600      -1.278200     -0.2966000    
 C   -1.451400       2.479400     -0.4459000    
 C   -2.687800       1.582200     -0.5768000    
 C    4.735700      0.6935000      0.7510000    
 C    5.096400      -1.908900     -0.1313000    
 C   -3.068000      0.9052000      0.7488000    
 C    5.977400      6.4400002E-02  0.9009000    
 C    6.157800      -1.238100      0.4619000    
 C   -4.008000     -0.2605000      0.5450000    
 C   -5.375300     -3.9700001E-02  0.5626000    
 C   -3.483900      -1.526900      0.3452000    
 C   -6.243000      -1.115600      0.3750000    
 C   -4.351400      -2.602800      0.1575000    
 C   -5.731000      -2.397200      0.1725000    
 H   0.8925000     -0.7111000      0.5134000    
 H   0.3231000       1.097900      -1.901900    
 H  -0.7592000     -2.2200000E-02  -1.070400    
 H    2.008500     -0.6516000      -2.349800    
 H   0.7888000      -1.789100      -1.769300    
 H    2.906900       2.617100      0.7013000    
 H    1.905000       1.646900       1.797800    
 H   0.6159000       3.458400      0.8614000    
 H    1.133200       3.094000     -0.7869000    
 H    3.128700      -2.697100      -1.743300    
 H    2.329000      -2.761100     -0.1625000    
 H   -1.258700       2.971400      -1.409300    
 H   -1.683500       3.289300      0.2590000    
 H   -2.563000      0.8487000      -1.378500    
 H    4.670400       1.712200       1.121400    
 H    5.240700      -2.932400     -0.4695000    
 H   -3.535300       1.628000       1.430700    
 H   -2.183200      0.5273000       1.274900    
 H    6.800700      0.5997000       1.365400    
 H    7.118100      -1.729500      0.5819000    
 H   -3.929800       3.078500     -0.3071000    
 H   -5.783900      0.9543000      0.7196000    
 H   -2.411100      -1.696700      0.3299000    
 H   -7.317200     -0.9556000      0.3865000    
 H   -3.952800      -3.600600     -7.9999998E-04
 H   -6.406500      -3.235000      2.6200000E-02


%chk=000117359-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117359

0 1
O -3.780099 2.463572 -1.121595
N 2.446794 0.525551 0.056725
N -0.278016 1.530251 0.011318
C 1.370318 -0.247861 -0.616485
C 0.259725 0.709043 -1.100126
C 1.928296 -1.057458 -1.800252
C 1.926515 1.390346 1.136001
C 0.818965 2.321689 0.618749
C 3.061162 -1.984037 -1.325894
C 3.774392 0.022672 0.102502
C 4.125728 -1.189079 -0.583624
C -1.434072 2.365534 -0.389066
C -2.749461 1.562666 -0.550756
C 4.808493 0.720388 0.797422
C 5.463240 -1.638862 -0.564391
C -3.197645 0.906539 0.771769
C 6.133580 0.240777 0.814236
C 6.478578 -0.946818 0.131602
C -4.233165 -0.207085 0.646414
C -5.281132 -0.153165 -0.311556
C -4.171279 -1.326702 1.516861
C -6.237029 -1.190953 -0.392054
C -5.130171 -2.362378 1.441944
C -6.169522 -2.297914 0.485419
H 0.907994 -0.951682 0.117347
H 0.675009 1.354537 -1.916221
H -0.554570 0.098823 -1.530295
H 2.308733 -0.361620 -2.572863
H 1.105541 -1.644513 -2.249949
H 2.733671 2.010055 1.553068
H 1.512065 0.768673 1.963042
H 0.410899 2.901759 1.467630
H 1.263195 3.041639 -0.114559
H 3.515365 -2.513451 -2.183897
H 2.636669 -2.766715 -0.662895
H -1.254702 2.915631 -1.345033
H -1.588729 3.128768 0.402215
H -2.636694 0.793007 -1.333759
H 4.594472 1.656760 1.320457
H 5.708044 -2.562114 -1.105887
H -3.584807 1.710352 1.438485
H -2.285738 0.514085 1.261308
H 6.898566 0.806891 1.358460
H 7.507761 -1.320006 0.137186
H -4.016474 3.139339 -0.434561
H -5.334712 0.704904 -0.990342
H -3.362860 -1.388421 2.256852
H -7.037939 -1.133497 -1.138514
H -5.063860 -3.218096 2.123880
H -6.913794 -3.100024 0.423779


