%chk=000076434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076434

0 1
 O    2.028000       1.103800       2.231600    
 O    2.057000      0.1395000      -2.463900    
 O    4.214700      -2.553400      0.5494000    
 N   -3.917400     -0.2714000      3.3300001E-02
 N    3.078900     -0.7335000       1.364500    
 N    3.090700      -1.206500     -0.9303000    
 C    1.693200      0.6708000     -0.1285000    
 C    1.935800       2.155900     -0.4324000    
 C   0.2117000      0.4218000     -8.5900001E-02
 C    2.279300      0.3903000       1.258200    
 C    2.294400     -0.1326000      -1.285200    
 C  -0.2627000     -0.8406000      0.2474000    
 C  -0.6662000       1.457200     -0.3803000    
 C    3.415900       2.459600     -0.5200000    
 C   -2.527100     -3.7999999E-02 -7.6000001E-03
 C   -1.637800      -1.071600      0.2866000    
 C   -2.041300       1.226400     -0.3408000    
 C    3.503100      -1.568700      0.3427000    
 C   -4.431800      -1.581400      0.3798000    
 C   -4.850300      0.7994000     -0.2571000    
 C   -4.407300      -2.515300     -0.8183000    
 C   -5.060700       1.688400      0.9569000    
 H    1.517600       2.814500      0.3410000    
 H    1.518800       2.457000      -1.403100    
 H   0.4112000      -1.660700      0.4770000    
 H  -0.3833000       2.467800     -0.6454000    
 H    3.943100       2.245500      0.4146000    
 H    3.912400       1.912500      -1.327000    
 H    3.558800       3.526300     -0.7274000    
 H   -1.949200      -2.075200      0.5531000    
 H   -2.679200       2.070200     -0.5789000    
 H    3.419300     -0.9559000       2.295800    
 H    3.440300      -1.778200      -1.694300    
 H   -5.475600      -1.489500      0.7086000    
 H   -3.920700      -2.019600       1.244400    
 H   -5.824300      0.3711000     -0.5289000    
 H   -4.563300       1.381600      -1.140000    
 H   -3.396500      -2.689700      -1.197100    
 H   -5.000400      -2.104800      -1.642900    
 H   -4.835500      -3.485700     -0.5472000    
 H   -4.141100       2.184100       1.280200    
 H   -5.435300       1.105600       1.805500    
 H   -5.798300       2.465100      0.7309000    


%chk=000076434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076434

0 1
O 2.277102 1.146736 2.246071
O 2.241158 0.289562 -2.532818
O 3.933607 -2.814666 0.477476
N -3.925779 -0.295901 0.044641
N 3.018645 -0.839061 1.329978
N 2.992992 -1.260954 -0.995007
C 1.819342 0.807277 -0.155944
C 2.168302 2.300966 -0.425829
C 0.285277 0.536058 -0.101995
C 2.383824 0.417978 1.228856
C 2.364998 -0.040882 -1.327492
C -0.203851 -0.764179 0.189668
C -0.672946 1.548470 -0.344830
C 3.684058 2.586070 -0.471250
C -2.553888 -0.025556 -0.003457
C -1.578398 -1.046969 0.236005
C -2.053334 1.284265 -0.293947
C 3.349467 -1.718475 0.284636
C -4.441210 -1.612540 0.469808
C -4.929182 0.725020 -0.316589
C -4.550699 -2.639559 -0.682459
C -5.333663 1.643161 0.861453
H 1.703067 2.903128 0.374234
H 1.713636 2.581784 -1.391821
H 0.491340 -1.590687 0.381103
H -0.354767 2.569958 -0.570052
H 4.174024 2.345021 0.489639
H 4.182337 2.017853 -1.277920
H 3.858899 3.658532 -0.669105
H -1.889610 -2.073756 0.446080
H -2.743368 2.114540 -0.467948
H 3.320279 -1.130749 2.265737
H 3.273399 -1.864586 -1.775120
H -5.441499 -1.454519 0.916003
H -3.806148 -2.013659 1.281698
H -5.825598 0.197940 -0.695158
H -4.552825 1.329888 -1.162401
H -3.565103 -2.830749 -1.141388
H -5.225032 -2.267863 -1.475115
H -4.953945 -3.600051 -0.310707
H -4.460968 2.191023 1.257081
H -5.763809 1.051193 1.689659
H -6.091230 2.381038 0.537529


