%chk=000178321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178321

0 1
 O   -2.090900     -0.3633000     -3.0700000E-02
 O   -1.345900      -2.908300      0.7243000    
 C    1.073600      0.4052000      0.9309000    
 C  -9.8999999E-02   1.167500      0.3087000    
 C    1.817500     -0.8455000      0.2729000    
 C    2.435200      0.5282000      0.2705000    
 C  -0.2946000      0.5246000      -1.001800    
 C   -1.661200      0.9632000      0.5418000    
 C  -0.8360000     -0.8690000     -0.4109000    
 C    1.426600      -1.604500      -1.054400    
 C   -1.373200       1.391600      -1.713900    
 C   -2.237400       1.872200     -0.5488000    
 C  -0.1388000      -1.813500      -1.356100    
 C    3.591900      0.7260000       1.200800    
 C    2.635600       1.287800     -0.9971000    
 C   -2.217700       1.237900       1.917800    
 C  -0.6859000      -1.700000      0.9461000    
 H    1.033800      0.4455000       2.014300    
 H   0.1434000       2.236800      0.2908000    
 H    2.285100      -1.551800      0.9587000    
 H   0.5306000      0.4662000      -1.699500    
 H    1.857700      -2.611400     -0.9661000    
 H    1.917000      -1.187000      -1.936600    
 H   -1.940700      0.8046000      -2.443500    
 H  -0.9210000       2.246400      -2.228500    
 H   -2.077900       2.935000     -0.3377000    
 H   -3.299900       1.698100     -0.7477000    
 H  -0.3476000      -1.567300      -2.405900    
 H  -0.4037000      -2.872900      -1.287800    
 H    4.520700      0.3605000      0.7487000    
 H    3.719200       1.787700       1.439700    
 H    3.460000      0.1932000       2.149600    
 H    3.634900       1.743700      -1.019000    
 H    2.603300      0.6865000      -1.905700    
 H    1.948200       2.132700      -1.097900    
 H   -1.736100      0.6194000       2.679700    
 H   -2.068600       2.284400       2.202100    
 H   -3.288900       1.013900       1.956600    
 H   -1.147100      -1.242000       1.824500    
 H   0.2949000      -2.019200       1.273300    
 H   -2.278500      -2.710900      0.5321000    


%chk=000178321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178321

0 1
O -2.194282 -0.406667 -0.063257
O -1.685703 -2.659569 1.005034
C 1.106851 0.420455 0.940436
C -0.120569 1.130838 0.326869
C 1.811059 -0.799440 0.198119
C 2.505074 0.592439 0.268207
C -0.280592 0.481806 -1.030356
C -1.742485 0.971478 0.565947
C -0.789735 -0.924665 -0.467029
C 1.400060 -1.630816 -1.099281
C -1.396572 1.285533 -1.765156
C -2.237191 1.880983 -0.585178
C -0.165325 -1.919423 -1.453218
C 3.694190 0.673712 1.234828
C 2.708276 1.472374 -0.978107
C -2.356944 1.147898 1.942544
C -0.578866 -1.696472 0.929387
H 1.150682 0.362993 2.037270
H 0.049716 2.227085 0.324055
H 2.256039 -1.482862 0.935577
H 0.612121 0.402406 -1.652073
H 1.891909 -2.614832 -0.986271
H 1.865361 -1.159294 -1.986531
H -2.010316 0.646663 -2.420974
H -0.933338 2.074707 -2.386673
H -2.023752 2.951415 -0.402776
H -3.322391 1.755316 -0.731454
H -0.348310 -1.694205 -2.518955
H -0.432109 -2.969574 -1.249606
H 4.629093 0.347929 0.738702
H 3.842762 1.711734 1.590739
H 3.542693 0.031693 2.122294
H 3.638743 2.058296 -0.871731
H 2.811527 0.872285 -1.902687
H 1.887528 2.194297 -1.135167
H -1.978648 0.404035 2.664505
H -2.120675 2.156141 2.332255
H -3.455959 1.049423 1.892978
H -0.602268 -1.018969 1.797815
H 0.314069 -2.329184 0.975456
H -2.503125 -2.105761 0.857762


