%chk=000155862.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155862

0 1
 O    4.919100      0.9371000     -0.3671000    
 O    4.926400      -1.795900      0.1222000    
 O   -5.370500      -2.683600     -0.5394000    
 N   -2.392100       2.398300      0.3891000    
 C   -1.458900       2.946200     -0.5947000    
 C   -1.698100       4.441800     -0.4540000    
 C  -3.8899999E-02   2.486900     -0.2732000    
 C   -3.643200       3.119500      0.1767000    
 C   -3.180100       4.550000     -9.1100000E-02
 C   -2.502600      0.9508000      0.2349000    
 C   4.5400001E-02  0.9883000     -1.3000000E-02
 C   -1.146200      0.2719000      0.2569000    
 C    1.303200      0.3180000      1.7500000E-02
 C   -1.089600      -1.103300      0.4976000    
 C    1.329500      -1.076700      0.2752000    
 C   0.1332000      -1.767800      0.5056000    
 C    2.543300      0.9651000     -0.1914000    
 C   -2.283300      -1.908700      0.7371000    
 C    2.553400      -1.766200      0.3030000    
 C    3.752000      0.2661000     -0.1589000    
 C    3.756700      -1.099700      8.6599998E-02
 C   -3.031200      -2.508100     -0.2131000    
 C   -4.258300      -3.321700      8.2800001E-02
 C   -4.124900      -4.737400     -0.4623000    
 C    5.567700       1.480800      0.7808000    
 C    5.388000      -2.352000      -1.107800    
 H   -1.735600       2.628000      -1.611300    
 H   -1.467600       4.981100      -1.378400    
 H   -1.091300       4.878500      0.3487000    
 H   0.3401000       3.002200      0.6187000    
 H   0.5987000       2.758700      -1.122300    
 H   -4.301700       3.064300       1.049000    
 H   -4.190600       2.742500     -0.6965000    
 H   -3.302800       5.179400      0.7975000    
 H   -3.756500       5.001100     -0.9058000    
 H   -3.000200      0.6911000     -0.7090000    
 H   -3.117900      0.5820000       1.063700    
 H   0.1621000      -2.840600      0.6975000    
 H    2.582900       2.035800     -0.3811000    
 H   -2.560200      -2.013300       1.783600    
 H    2.573100      -2.837300      0.4994000    
 H   -2.750600      -2.394700      -1.258400    
 H   -4.455100      -3.358500       1.160200    
 H   -4.004500      -4.734000      -1.551900    
 H   -5.032200      -5.314100     -0.2513000    
 H   -3.271600      -5.259600     -1.7600000E-02
 H    5.833500      0.6868000       1.485700    
 H    4.924800       2.219000       1.270800    
 H    6.484500       1.978300      0.4528000    
 H    6.331500      -2.870300     -0.9165000    
 H    5.565300      -1.562700      -1.845100    
 H    4.663900      -3.074700      -1.497200    
 H   -6.161400      -3.213700     -0.3414000    


%chk=000155862-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155862

0 1
O 4.850564 0.953286 -0.178330
O 4.752603 -1.959422 -0.170023
O -4.568908 -4.187767 -1.512668
N -2.439798 2.636141 0.358273
C -1.400883 3.221672 -0.520566
C -1.576664 4.743293 -0.299506
C -0.040458 2.630533 -0.133719
C -3.646512 3.476584 0.200134
C -3.081921 4.922993 0.098686
C -2.633429 1.197441 0.149217
C -0.086366 1.107005 -0.037492
C -1.313566 0.429024 0.075748
C 1.152132 0.362483 -0.070316
C -1.355399 -1.021945 0.086481
C 1.112069 -1.084727 -0.027017
C -0.150939 -1.740545 0.045818
C 2.435542 0.999489 -0.109139
C -2.650878 -1.737400 0.139507
C 2.336988 -1.827075 -0.072967
C 3.618061 0.259027 -0.126629
C 3.569390 -1.182742 -0.142236
C -2.882008 -3.007267 -0.297675
C -4.201734 -3.721596 -0.151116
C -4.105528 -4.918815 0.822571
C 5.719793 0.750771 1.005531
C 5.544702 -1.821145 -1.415415
H -1.610148 2.973984 -1.596107
H -1.308250 5.318505 -1.202661
H -0.918435 5.077467 0.522416
H 0.266469 3.058793 0.842234
H 0.718376 2.939216 -0.878327
H -4.336545 3.340893 1.052942
H -4.207152 3.214642 -0.735143
H -3.163380 5.444839 1.067180
H -3.641177 5.514365 -0.647055
H -3.219303 0.989543 -0.788418
H -3.244736 0.808223 0.987379
H -0.171248 -2.834717 0.099144
H 2.527508 2.088940 -0.099334
H -3.507350 -1.190568 0.557783
H 2.317767 -2.922254 -0.068854
H -2.097104 -3.590521 -0.799094
H -4.972110 -3.010181 0.219048
H -3.353248 -5.644815 0.465010
H -5.079413 -5.440497 0.908319
H -3.812949 -4.580753 1.832547
H 5.940508 -0.321554 1.153233
H 5.229737 1.162755 1.908208
H 6.642715 1.310868 0.790859
H 6.442702 -2.438946 -1.262069
H 5.823585 -0.766335 -1.589736
H 4.965683 -2.205075 -2.276841
H -5.328758 -4.821113 -1.436016


