%chk=000174277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174277

0 1
 O   -4.894000     -0.8898000     -0.2669000    
 O   -3.519200      -2.383600       1.028700    
 O  -0.7148000      -2.068900       1.320700    
 O   0.9184000      -2.079900      -1.178000    
 O    4.802600      0.3113000      0.1753000    
 O    3.626400      -1.902700     -0.9924000    
 C   -1.010000       3.298700     -0.8256000    
 C   0.2660000       3.432400      5.7399999E-02
 C   -1.090400       1.969400      -1.618400    
 C   0.4505000       2.319200       1.108600    
 C   -1.649500      0.7671000     -0.8807000    
 C    1.244700       1.153600      0.5572000    
 C  -0.8307000     -0.1232000     -0.1283000    
 C   0.6330000      3.0500000E-02 -3.6200002E-02
 C   -2.314400       3.628800     -8.7700002E-02
 C   0.3326000       4.803400      0.7476000    
 C   -3.040100      0.5362000     -0.9628000    
 C   -1.434200      -1.210900      0.5430000    
 C    2.650600       1.227100      0.6149000    
 C    1.460600     -0.9901000     -0.5494000    
 C   -3.579700     -0.5395000     -0.2919000    
 C   -2.797900      -1.389000      0.4442000    
 C    3.446900      0.2055000      0.1027000    
 C    2.851300     -0.9045000     -0.4807000    
 C   -4.849100      -2.060500      0.5741000    
 C  -0.5831000      -1.735900       2.700800    
 C   0.7279000      -1.979100      -2.584200    
 C    5.433600     -0.2231000       1.337700    
 C    3.462000      -3.202400     -0.4298000    
 H  -0.9042000       4.078500      -1.595400    
 H    1.122000       3.410300     -0.6328000    
 H  -0.1114000       1.725800      -2.049900    
 H   -1.727400       2.142600      -2.498000    
 H  -0.5056000       1.987000       1.526700    
 H    1.003400       2.706300       1.976000    
 H   -2.475100       2.980400      0.7784000    
 H   -2.318600       4.664500      0.2661000    
 H   -3.174300       3.528600     -0.7585000    
 H    1.323100       4.960500       1.189300    
 H   0.1603000       5.613200      3.1099999E-02
 H  -0.4039000       4.888800       1.553100    
 H   -3.682500       1.194200      -1.540300    
 H    3.127000       2.097900       1.061600    
 H   -5.487300      -1.889500       1.448600    
 H   -5.244600      -2.913300      1.0500000E-02
 H   -1.557500      -1.775200       3.197600    
 H  -0.1403000     -0.7429000       2.825200    
 H   7.6600000E-02  -2.472100       3.168200    
 H   0.2310000      -2.890500      -2.927800    
 H    1.690200      -1.894100      -3.098700    
 H   9.4899997E-02  -1.123000      -2.837100    
 H    5.082300      0.2943000       2.236100    
 H    6.511900     -6.8000004E-02   1.243800    
 H    5.240900      -1.297000       1.423200    
 H    2.811400      -3.806900      -1.067800    
 H    3.067400      -3.167500      0.5918000    
 H    4.444800      -3.682100     -0.3986000    


%chk=000174277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174277

0 1
O -5.003827 -0.686692 -0.002737
O -3.731745 -2.008977 1.531781
O -0.698869 -1.589476 1.894173
O 0.831206 -2.072169 -0.617432
O 4.855694 0.635259 0.403636
O 3.632181 -1.896931 -0.599574
C -0.973154 3.438891 -0.993434
C 0.282466 3.689005 -0.096666
C -1.027509 1.986910 -1.601044
C 0.461674 2.656627 1.069422
C -1.651147 0.898160 -0.730302
C 1.251275 1.421781 0.660523
C -0.870156 0.083533 0.144721
C 0.615200 0.222344 0.228244
C -2.307879 3.833705 -0.319318
C 0.311796 5.135391 0.454339
C -3.056163 0.673509 -0.853410
C -1.491401 -0.930084 0.951365
C 2.661755 1.479602 0.700321
C 1.436363 -0.869596 -0.154567
C -3.625010 -0.339411 -0.086290
C -2.872901 -1.126136 0.804821
C 3.478092 0.385120 0.333026
C 2.854938 -0.817748 -0.108825
C -5.029384 -1.924837 0.811240
C -0.907224 -3.043113 2.050765
C 0.741013 -2.135363 -2.092334
C 5.813650 -0.473745 0.546077
C 3.520816 -3.154847 0.173510
H -0.842572 4.113050 -1.868492
H 1.166698 3.574989 -0.759514
H -0.000340 1.699385 -1.896088
H -1.621472 2.051722 -2.533372
H -0.527035 2.374517 1.474294
H 1.006415 3.162862 1.889157
H -2.497392 3.249413 0.599089
H -2.318694 4.905183 -0.053303
H -3.159709 3.654615 -1.001260
H 1.302219 5.361197 0.891890
H 0.117156 5.877286 -0.343634
H -0.442920 5.285847 1.248296
H -3.663789 1.272018 -1.536144
H 3.168374 2.387700 1.043880
H -5.841898 -1.855301 1.549431
H -5.125862 -2.799172 0.137173
H -0.664161 -3.552968 1.100925
H -1.941971 -3.270179 2.360841
H -0.198009 -3.346332 2.835842
H 0.283109 -3.109605 -2.325434
H 1.748361 -2.068791 -2.543854
H 0.096664 -1.318735 -2.470639
H 5.541667 -1.124781 1.399548
H 6.776444 0.020729 0.750009
H 5.868330 -1.076917 -0.373524
H 2.469579 -3.487419 0.212428
H 3.913587 -3.012271 1.199855
H 4.139972 -3.887854 -0.367136


