%chk=000076361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076361

0 1
 O  -0.3989000     -0.7317000     -0.3714000    
 O   -1.505600      0.9903000      0.7489000    
 O  -0.9949000      -1.660100      0.5791000    
 O   -2.258500       1.137200     -0.4893000    
 C    2.709800      0.9387000      0.2589000    
 C    4.122300      0.5237000     -0.1489000    
 C    2.090800     -0.1011000       1.202400    
 C    1.828900       1.150500     -0.9796000    
 C  -0.2325000      0.4860000      0.3528000    
 C   0.6577000      0.2686000       1.583000    
 C   0.3945000       1.513400     -0.5949000    
 C    4.997700      0.3595000       1.105000    
 C    4.072100     -0.8123000     -0.9092000    
 C    4.738100       1.600300      -1.058100    
 C   -1.161800      -2.873700     -0.1394000    
 C   -3.527600       1.639600     -9.7099997E-02
 C   -2.092000      -2.614100      -1.323500    
 C   -1.779800      -3.892600      0.8157000    
 C   0.2096000      -3.348100     -0.6177000    
 C   -3.323400       2.979000      0.6092000    
 C   -4.361700       1.821600      -1.363500    
 C   -4.184700      0.6252000      0.8377000    
 H    2.758500       1.894300      0.8010000    
 H    2.059800      -1.099000      0.7579000    
 H    2.659200     -0.1788000       2.134600    
 H    2.209700       1.965400      -1.603500    
 H    1.777700      0.2577000      -1.608900    
 H   0.2482000     -0.5013000       2.247100    
 H   0.6683000       1.188400       2.183300    
 H  -0.1797000       1.601200      -1.525600    
 H   0.3776000       2.507700     -0.1293000    
 H    4.727500     -0.5208000       1.696800    
 H    6.050600      0.2277000      0.8276000    
 H    4.940200       1.242700       1.750800    
 H    3.512500     -0.7661000      -1.846600    
 H    3.693300      -1.646000     -0.3130000    
 H    5.092300      -1.101600      -1.195700    
 H    4.657400       2.596500     -0.6089000    
 H    5.804300       1.403900      -1.223700    
 H    4.277400       1.629600      -2.050500    
 H   -1.652500      -1.933100      -2.060700    
 H   -2.336200      -3.546000      -1.845100    
 H   -3.027800      -2.152000     -0.9900000    
 H   -2.742300      -3.533500       1.198100    
 H   -1.137400      -4.045800       1.690500    
 H   -1.939300      -4.860200      0.3289000    
 H   0.9139000      -3.409300      0.2200000    
 H   0.1442000      -4.337300      -1.083800    
 H   0.6564000      -2.670100      -1.353200    
 H   -2.726800       3.658500     -1.0400000E-02
 H   -4.282900       3.462200      0.8240000    
 H   -2.791200       2.874600       1.561100    
 H   -4.469200      0.8710000      -1.898500    
 H   -3.869900       2.512800      -2.057600    
 H   -5.361100       2.208100      -1.139000    
 H   -3.644400      0.5156000       1.784400    
 H   -5.211600      0.9198000       1.080300    
 H   -4.212600     -0.3686000      0.3769000    


%chk=000076361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076361

0 1
O -0.151806 -1.098913 -0.624942
O -1.530139 0.456857 0.642544
O -0.346327 -2.317024 0.307920
O -2.404805 0.819824 -0.591474
C 2.725246 0.920463 0.283992
C 4.285301 0.810315 0.076010
C 2.128254 -0.198594 1.181137
C 1.916876 0.977142 -1.041959
C -0.182550 0.135675 0.169002
C 0.629311 0.038832 1.479268
C 0.402186 1.182920 -0.805852
C 5.003734 0.910147 1.452304
C 4.694576 -0.524817 -0.603728
C 4.784502 1.994544 -0.800034
C -1.335327 -3.241884 -0.343718
C -3.487179 1.732414 -0.100798
C -2.724337 -2.582042 -0.408763
C -1.301898 -4.422320 0.653490
C -0.821243 -3.658598 -1.736383
C -2.880881 3.045323 0.434141
C -4.277032 1.958806 -1.409487
C -4.341862 1.012780 0.962762
H 2.559014 1.889157 0.812512
H 2.236726 -1.180996 0.685097
H 2.661991 -0.254323 2.147385
H 2.277302 1.802749 -1.682750
H 2.061537 0.035463 -1.603729
H 0.218933 -0.779374 2.093411
H 0.495925 0.988491 2.030608
H -0.151958 1.141757 -1.758460
H 0.209436 2.175564 -0.355186
H 4.779436 0.044985 2.101497
H 6.100741 0.940939 1.310886
H 4.705564 1.830119 1.991660
H 4.220866 -0.643646 -1.595203
H 4.416868 -1.398536 0.013123
H 5.790865 -0.555264 -0.752072
H 4.442544 2.965183 -0.390952
H 5.890432 2.009912 -0.828354
H 4.428772 1.918438 -1.843101
H -2.678659 -1.642697 -0.983951
H -3.449573 -3.266053 -0.888219
H -3.082825 -2.336524 0.606372
H -1.601810 -4.090092 1.662577
H -0.291062 -4.861901 0.710525
H -2.008303 -5.202467 0.317421
H 0.195704 -4.082632 -1.662283
H -1.490768 -4.419120 -2.178529
H -0.786788 -2.785766 -2.409291
H -2.273106 3.536751 -0.346306
H -3.682327 3.740749 0.744355
H -2.237206 2.841529 1.306423
H -4.655603 1.001595 -1.807641
H -3.640391 2.433136 -2.176502
H -5.137750 2.621604 -1.208175
H -3.735679 0.783145 1.854696
H -5.192323 1.649999 1.267677
H -4.736923 0.064375 0.558450


