%chk=000078623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078623

0 1
 O    1.043500     -0.3212000      0.7620000    
 O   -1.107400     -0.7801000     -8.5500002E-02
 N   0.6271000      -2.455700     -0.3013000    
 C    2.504600       1.424700     -0.1270000    
 C   -2.913600      0.8644000      1.9000000E-03
 C    1.495600      0.3001000     -0.4343000    
 C   -1.682900      0.2547000      0.7023000    
 C   6.9799997E-02  -1.353700      0.5153000    
 C    2.980900       2.084400      -1.432100    
 C    3.714000      0.8242000      0.6069000    
 C    1.853200       2.496300      0.7635000    
 C   -3.520800       1.980900      0.8679000    
 C   -3.963600     -0.2373000     -0.2119000    
 C   -2.513600       1.453700      -1.361400    
 C    1.800100      -3.065800      0.3244000    
 C  -0.3867000      -3.469600     -0.5907000    
 H    1.976900     -0.4381000      -1.086800    
 H   0.6470000      0.7227000     -0.9853000    
 H   -1.974300     -0.1612000       1.675100    
 H  -0.9513000       1.049100      0.8865000    
 H  -0.2203000      -1.750500       1.496900    
 H    2.140600       2.525100      -1.980100    
 H    3.705800       2.881700      -1.233500    
 H    3.461700       1.352800      -2.091100    
 H    4.191800      4.1099999E-02  7.3000002E-03
 H    4.469600       1.591000      0.8125000    
 H    3.427500      0.3821000       1.567500    
 H    1.535900       2.082300       1.726800    
 H    2.552100       3.314400      0.9718000    
 H   0.9705000       2.927600      0.2782000    
 H   -3.827400       1.597200       1.847400    
 H   -4.403800       2.419800      0.3900000    
 H   -2.797000       2.786000       1.037100    
 H   -4.257500     -0.6939000      0.7400000    
 H   -4.869100      0.1676000     -0.6783000    
 H   -3.589000      -1.034200     -0.8638000    
 H   -1.745400       2.226600      -1.245600    
 H   -3.374600       1.911400      -1.861700    
 H   -2.114600      0.6846000      -2.031900    
 H    2.601900      -2.335200      0.4721000    
 H    2.215000      -3.849600     -0.3196000    
 H    1.558900      -3.512100       1.296000    
 H   3.4000002E-02  -4.268800      -1.211500    
 H   -1.218600      -3.045700      -1.163300    
 H  -0.7883000      -3.920900      0.3237000    


%chk=000078623-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078623

0 1
O 1.169754 -0.333153 0.762307
O -1.083683 -0.791046 0.022028
N 0.541971 -2.465643 -0.170770
C 2.556445 1.438131 -0.230390
C -2.922761 0.844513 0.064549
C 1.646056 0.223826 -0.527256
C -1.801084 0.167286 0.885086
C 0.112304 -1.329025 0.641121
C 3.045068 1.995766 -1.593985
C 3.774210 0.988501 0.618554
C 1.761565 2.532245 0.528081
C -3.654011 1.835796 1.008753
C -3.921620 -0.222328 -0.453047
C -2.306839 1.614683 -1.131772
C 1.727028 -3.146499 0.390729
C -0.522394 -3.405262 -0.578153
H 2.203634 -0.557896 -1.079735
H 0.770590 0.522971 -1.135930
H -2.236304 -0.376886 1.752498
H -1.086882 0.927156 1.262604
H -0.094938 -1.578823 1.715138
H 2.195926 2.331727 -2.219351
H 3.713616 2.862829 -1.437423
H 3.608721 1.231327 -2.162301
H 4.375474 0.232442 0.077543
H 4.431914 1.849075 0.843536
H 3.439360 0.543677 1.571707
H 1.385758 2.141092 1.489555
H 2.404471 3.409058 0.732471
H 0.894930 2.877291 -0.068969
H -4.105417 1.311928 1.873044
H -4.466344 2.353478 0.465938
H -2.962309 2.607624 1.397309
H -4.394971 -0.765319 0.387324
H -4.724475 0.254041 -1.046380
H -3.406699 -0.960399 -1.092287
H -1.596230 2.388625 -0.782195
H -3.098251 2.117976 -1.717748
H -1.762341 0.923438 -1.798328
H 2.491491 -2.400998 0.661764
H 2.148845 -3.828052 -0.368899
H 1.491069 -3.749340 1.302835
H -0.109192 -4.108399 -1.323663
H -1.351577 -2.847693 -1.034514
H -0.923679 -4.006842 0.275023


