%chk=000068938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068938

0 1
 O   -3.910000      0.7562000      0.9439000    
 O   -4.287000      -1.588400     -0.6886000    
 O    6.162000      -1.043000      -1.399800    
 N  -0.4563000     -0.5441000      0.8202000    
 N    4.603100      -1.689400      0.2022000    
 C    2.362900     -0.7196000     -0.1587000    
 C    1.897300      -1.191100       1.249300    
 C    1.107200     -0.8297000      -1.070500    
 C   0.6648000     -0.4320000       1.760300    
 C  -9.0400003E-02 -5.2299999E-02 -0.5130000    
 C    3.435100      -1.712100     -0.6620000    
 C    2.997900      0.6868000     -0.1970000    
 C   -1.628000      0.1681000       1.328500    
 C   -2.817900      6.5000001E-03  0.3940000    
 C    2.896100       1.458200      -1.350000    
 C    3.666900       1.172300      0.9219000    
 C   -3.218000      -1.456300      0.2538000    
 C    3.469700       2.729300      -1.384700    
 C    4.240400       2.443400      0.8872000    
 C    5.863300      -1.355400     -0.2500000    
 C    4.141800       3.221800     -0.2661000    
 C   -5.098500      0.4628000      0.3288000    
 C   -5.277900     -0.6678000     -0.4712000    
 C    6.884800      -1.386700      0.8551000    
 C   -6.158100       1.345700      0.5388000    
 C   -6.504000     -0.8932000      -1.097500    
 C   -7.388000       1.112400     -7.6899998E-02
 C   -7.559100     -2.4999999E-03 -0.8982000    
 H    1.631500      -2.257700       1.198800    
 H    2.682300      -1.133600       2.009100    
 H    1.298500     -0.5434000      -2.108900    
 H   0.8146000      -1.889100      -1.136200    
 H   0.9194000      0.6191000       1.944500    
 H   0.3767000     -0.8670000       2.725300    
 H   0.1152000       1.024800     -0.4994000    
 H  -0.8883000     -0.2246000      -1.240300    
 H    3.057900      -2.741400     -0.6519000    
 H    3.732100      -1.484400      -1.692600    
 H   -1.416400       1.237100       1.469500    
 H   -1.901600     -0.2141000       2.321300    
 H   -2.632500      0.4596000     -0.5863000    
 H    4.494000      -1.999700       1.163100    
 H    2.411900       1.114500      -2.255400    
 H    3.781400      0.6009000       1.835400    
 H   -3.547600      -1.882400       1.210400    
 H   -2.394900      -2.071700     -0.1218000    
 H    3.399400       3.333400      -2.284600    
 H    4.767100       2.826000       1.756500    
 H    4.590500       4.210500     -0.2939000    
 H    7.879600      -1.194700      0.4438000    
 H    6.650000     -0.6170000       1.595600    
 H    6.886100      -2.368800       1.336500    
 H   -6.030800       2.220900       1.169900    
 H   -6.648600      -1.763700      -1.731600    
 H   -8.212400       1.801900      7.9899997E-02
 H   -8.516500     -0.1794000      -1.379600    


%chk=000068938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068938

0 1
O -4.099429 0.849320 0.641963
O -4.491207 -1.921240 -0.218631
O 6.054256 -1.283963 -1.647195
N -0.500803 -0.181706 0.566724
N 4.580402 -1.835249 0.071337
C 2.395193 -0.537034 -0.177407
C 1.762327 -1.040623 1.156129
C 1.226340 -0.420430 -1.208251
C 0.544400 -0.214878 1.622848
C 0.044766 0.413870 -0.682827
C 3.370164 -1.634488 -0.731799
C 3.167985 0.797557 -0.040388
C -1.745126 0.483728 1.021677
C -2.968235 -0.031203 0.248279
C 3.665249 1.440776 -1.206623
C 3.467725 1.394843 1.211537
C -3.320869 -1.486075 0.575012
C 4.411247 2.634946 -1.129874
C 4.215076 2.592464 1.296740
C 5.854803 -1.620514 -0.440659
C 4.687666 3.223226 0.125745
C -5.364005 0.358387 0.236863
C -5.550831 -0.984228 -0.197263
C 7.000545 -1.815211 0.548903
C -6.457816 1.247188 0.267571
C -6.823072 -1.414541 -0.625741
C -7.733510 0.809783 -0.149676
C -7.913837 -0.518785 -0.606836
H 1.413718 -2.079353 0.990684
H 2.509930 -1.074466 1.972823
H 1.587421 0.018744 -2.155901
H 0.856186 -1.439197 -1.438869
H 0.862189 0.818508 1.905863
H 0.110662 -0.685247 2.525502
H 0.369984 1.471381 -0.513294
H -0.751839 0.436306 -1.448364
H 2.808243 -2.587653 -0.814999
H 3.723512 -1.360541 -1.741726
H -1.707353 1.594223 0.915349
H -1.895394 0.268574 2.096651
H -2.823590 0.066825 -0.846504
H 4.483544 -2.108738 1.049559
H 3.493206 0.996181 -2.193297
H 3.123708 0.933127 2.142271
H -3.553841 -1.587988 1.654268
H -2.495433 -2.157871 0.297873
H 4.787573 3.098105 -2.048730
H 4.427040 3.029804 2.279372
H 5.267561 4.150682 0.189009
H 7.741221 -2.505504 0.111331
H 7.506147 -0.846063 0.704373
H 6.677733 -2.207679 1.529259
H -6.286987 2.272698 0.610359
H -6.936963 -2.450913 -0.959124
H -8.579115 1.504878 -0.124803
H -8.899769 -0.858845 -0.940191


