%chk=000176905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176905

0 1
 O    3.077400      -1.523100       1.004900    
 O    5.202900      0.1145000       1.737600    
 O   0.7176000       2.230900     -0.2883000    
 O   -4.020700      -1.508900      0.1866000    
 O   0.8371000      -2.502500     -0.6937000    
 O   -5.335400      0.4715000      0.5634000    
 N   -1.183200      -1.461000     -0.2752000    
 C    3.113100     -0.1580000      0.5696000    
 C    4.590900      0.2929000      0.4507000    
 C    2.290600     -6.9700003E-02 -0.7354000    
 C   0.8199000     -0.1311000     -0.4969000    
 C    4.720600       1.777300      9.5100001E-02
 C    5.399400     -0.5549000     -0.5348000    
 C   7.9099998E-02   1.023100     -0.2811000    
 C   -1.302300      0.9454000     -5.9900001E-02
 C   0.1470000      -1.337000     -0.4840000    
 C   -1.896700     -0.3359000     -6.6299997E-02
 C   -3.259600     -0.3751000      0.1545000    
 C   -2.085300       2.104200      0.1631000    
 C   -4.018400      0.7551000      0.3709000    
 C   -3.459400       2.012000      0.3813000    
 C   -5.329100     -0.9641000      0.4460000    
 C   0.8129000       2.901800      -1.541200    
 C   8.1400000E-02  -3.707100     -0.6671000    
 H    2.626400      0.4283000       1.359900    
 H    2.583200     -0.8827000      -1.412900    
 H    2.537700      0.8435000      -1.281700    
 H    4.396800       1.990800     -0.9275000    
 H    5.760100       2.110700      0.1975000    
 H    4.130400       2.394900      0.7817000    
 H    5.024900     -0.4587000      -1.558500    
 H    5.382200      -1.614000     -0.2551000    
 H    6.454200     -0.2561000     -0.5277000    
 H    3.585900      -1.576800       1.832000    
 H    4.720600      0.6661000       2.377100    
 H   -1.633200       3.093100      0.1786000    
 H   -4.057400       2.899400      0.5536000    
 H   -5.709900      -1.394800       1.379100    
 H   -5.998000      -1.252600     -0.3729000    
 H  -8.5400000E-02   3.502800      -1.709900    
 H   0.9457000       2.204500      -2.375200    
 H    1.676600       3.571700      -1.505600    
 H  -0.3803000      -3.860500      0.3141000    
 H   0.7687000      -4.538800     -0.8484000    
 H  -0.6737000      -3.715800      -1.460400    


%chk=000176905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176905

0 1
O 2.803005 -1.056439 1.402031
O 5.119316 0.290766 1.885617
O 0.782454 2.251969 -0.276033
O -4.129435 -1.564183 0.163866
O 0.844433 -2.512152 -1.012151
O -5.383301 0.407076 0.740034
N -1.200881 -1.514370 -0.441241
C 3.078816 0.114118 0.562682
C 4.624876 0.325871 0.462629
C 2.362986 -0.117149 -0.788384
C 0.858241 -0.149613 -0.611988
C 4.986556 1.685157 -0.161219
C 5.347184 -0.846126 -0.214691
C 0.114662 0.999561 -0.337216
C -1.300112 0.948750 -0.055426
C 0.110641 -1.388698 -0.665602
C -1.910976 -0.371058 -0.123067
C -3.297292 -0.419043 0.161858
C -2.064206 2.100858 0.304524
C -4.023460 0.728162 0.497248
C -3.439184 2.007655 0.584743
C -5.480038 -1.066343 0.540307
C 0.675394 3.044532 -1.520132
C 0.115295 -3.796185 -1.019296
H 2.654608 1.028256 1.037350
H 2.701787 -1.075933 -1.211279
H 2.645188 0.698946 -1.479089
H 4.714311 1.722211 -1.230751
H 6.074078 1.859203 -0.080790
H 4.456447 2.514391 0.347806
H 5.138412 -0.863482 -1.298690
H 5.012882 -1.802674 0.221316
H 6.436025 -0.748431 -0.067398
H 3.455998 -1.002173 2.153482
H 4.884125 1.152673 2.319274
H -1.551475 3.062589 0.396336
H -4.033429 2.878421 0.871372
H -5.785598 -1.537849 1.490676
H -6.182200 -1.270874 -0.286528
H -0.382811 3.237853 -1.779165
H 1.165939 2.519457 -2.362817
H 1.192826 3.994131 -1.315075
H -0.308048 -4.001253 -0.021841
H 0.878128 -4.540522 -1.290999
H -0.706864 -3.772755 -1.754679


