%chk=000177197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177197

0 1
 O    3.804300      -1.686000     -8.8100001E-02
 O    2.174800      -2.749900      -1.294700    
 C    1.467200       2.343700      0.6914000    
 C    2.106700       1.199600       1.454900    
 C    2.865900       2.478700       1.233800    
 C    1.262900       2.352000     -0.8107000    
 C    2.473300     -1.8100001E-02  0.7435000    
 C  -9.2000000E-02   1.731000      -1.208000    
 C   0.1934000     -0.6428000     -0.1815000    
 C    1.669400     -0.8090000      2.8100001E-02
 C  -0.1071000      0.2070000      -1.428800    
 C    1.319900       3.807300      -1.301400    
 C    3.863100     -0.5217000      0.7372000    
 C  -0.5430000      -1.986400     -0.2510000    
 C    2.527600      -1.862100     -0.5382000    
 C   -2.059000      -1.805400     -0.4447000    
 C  -0.2708000      -2.778900       1.027600    
 C   -2.768100     -0.9724000      0.6324000    
 C   -4.230800     -0.7770000      0.3456000    
 C   -4.918900      0.3772000      0.2583000    
 C   -6.393600      0.3601000     -4.7899999E-02
 C   -4.345000       1.753200      0.4423000    
 H   0.6862000       2.892300       1.209700    
 H    1.740100       1.025400       2.462200    
 H    3.010900       3.131700       2.086900    
 H    3.691100       2.490500      0.5317000    
 H    2.072400       1.814300      -1.319500    
 H  -0.4175000       2.176300      -2.158000    
 H  -0.8617000       1.995600     -0.4719000    
 H  -0.1905000     -0.1033000      0.6931000    
 H   -1.086100      1.9000000E-03  -1.859900    
 H   0.6071000     -3.9299998E-02  -2.226600    
 H    2.273900       4.273800      -1.032800    
 H    1.219800       3.857000      -2.390800    
 H   0.5195000       4.408500     -0.8558000    
 H    4.567300      0.1873000      0.2930000    
 H    4.204500     -0.8079000       1.736300    
 H  -0.1990000      -2.576700      -1.107700    
 H   -2.513600      -2.807500     -0.4398000    
 H   -2.302000      -1.425900      -1.441800    
 H  -0.4741000      -2.190200       1.928600    
 H  -0.9013000      -3.674500       1.068300    
 H   0.7628000      -3.130600       1.089800    
 H   -2.273800     -8.7000001E-03  0.7457000    
 H   -2.689400      -1.480500       1.600400    
 H   -4.780900      -1.706800      0.2028000    
 H   -6.595400      0.9161000     -0.9694000    
 H   -6.955700      0.8246000      0.7690000    
 H   -6.781600     -0.6552000     -0.1820000    
 H   -4.453700       2.330600     -0.4819000    
 H   -3.287300       1.762100      0.7097000    
 H   -4.881400       2.278900       1.239600    


%chk=000177197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177197

0 1
O 3.853597 -1.774256 -0.347753
O 2.113272 -2.751444 -1.564034
C 1.628520 2.367426 0.798439
C 2.222144 1.131042 1.513634
C 3.043081 2.429084 1.395234
C 1.433031 2.430919 -0.723068
C 2.569215 -0.081328 0.722422
C 0.068836 1.837378 -1.194507
C 0.211053 -0.596290 -0.188792
C 1.700497 -0.838040 -0.014098
C -0.016953 0.307031 -1.447551
C 1.553923 3.908800 -1.176843
C 3.972130 -0.633343 0.586311
C -0.611872 -1.931453 -0.202796
C 2.473510 -1.891587 -0.738416
C -2.143297 -1.704772 -0.371674
C -0.323025 -2.764085 1.072320
C -2.803237 -0.734248 0.649372
C -4.315093 -0.756997 0.554038
C -5.162104 0.264199 0.233567
C -6.665958 0.038779 0.175714
C -4.727395 1.684134 -0.087546
H 0.849532 2.900880 1.360556
H 1.809952 0.921510 2.509613
H 3.213844 3.014588 2.302966
H 3.879725 2.444174 0.687423
H 2.248539 1.855638 -1.209752
H -0.204775 2.338810 -2.145192
H -0.715113 2.127733 -0.461943
H -0.123567 -0.018762 0.697405
H -1.022905 0.102602 -1.858228
H 0.700353 0.019100 -2.241735
H 2.499475 4.360681 -0.825592
H 1.520449 3.990264 -2.278925
H 0.720006 4.513204 -0.770163
H 4.687152 0.091376 0.153911
H 4.383071 -1.007946 1.542631
H -0.270307 -2.527441 -1.071993
H -2.636411 -2.694914 -0.287381
H -2.375401 -1.346822 -1.393439
H -0.597195 -2.213298 1.992937
H -0.900738 -3.706587 1.057425
H 0.745042 -3.033594 1.149071
H -2.416130 0.289789 0.496296
H -2.502185 -1.034154 1.674810
H -4.767766 -1.741374 0.758248
H -7.063562 0.264258 -0.834345
H -7.197464 0.708879 0.881091
H -6.934214 -1.002594 0.424935
H -5.097942 1.987777 -1.086976
H -3.632815 1.815909 -0.078377
H -5.161726 2.399265 0.639751


