%chk=000169403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169403

0 1
 O   0.8076000      -1.032900     -0.8419000    
 O   0.1890000       2.552000     -0.9777000    
 O    1.740800     -0.5751000       1.195100    
 O   -6.546000      -1.944500       2.649600    
 N   -1.921300      -1.063400      -1.685800    
 N    2.831100      -1.887800     -0.4075000    
 C   -1.061000      7.7699997E-02  -1.900000    
 C   2.6000001E-02  0.1622000     -0.8284000    
 C   -1.688500      -2.272300      -2.476500    
 C   -2.967700      -1.023700     -0.7548000    
 C   0.9599000       1.354700      -1.010200    
 C   -3.195100      0.1298000      4.4999998E-03
 C   -3.795800      -2.137500     -0.5747000    
 C   -2.500700      -2.223800      -3.756400    
 C   -4.236600      0.1690000      0.9316000    
 C   -5.057800     -0.9450000       1.105500    
 C   -4.837500      -2.098100      0.3523000    
 C   -4.451800       1.416300       1.725400    
 C    1.802800      -1.116200      9.7900003E-02
 C   0.8087000       3.669400     -0.4854000    
 C   -6.151600     -0.9318000       2.067300    
 C   5.6800000E-02   4.647200      0.1569000    
 C    2.184000       3.815600     -0.6307000    
 C    4.049800      -2.232800      0.2199000    
 C   0.6877000       5.785200      0.6597000    
 C    2.815000       4.953400     -0.1278000    
 C    2.066800       5.938400      0.5173000    
 C    4.962600      -3.024600     -0.4586000    
 C    4.308000      -1.772900       1.501500    
 C    6.165100      -3.365200      0.1607000    
 C    5.510700      -2.113500       2.120700    
 C    6.439300      -2.909600       1.450200    
 H   -1.634500       1.007400      -1.989700    
 H  -0.5656000     -3.0300001E-02  -2.874800    
 H  -0.4517000      0.2430000      0.1553000    
 H   -1.843600      -3.201400      -1.919300    
 H  -0.6289000      -2.315000      -2.761700    
 H    1.720300       1.359500     -0.2233000    
 H    1.477500       1.282600      -1.975100    
 H   -2.587200       1.022100     -0.1035000    
 H   -3.694600      -3.058000      -1.138300    
 H   -3.576100      -2.205000      -3.553600    
 H   -2.258800      -1.333800      -4.347200    
 H   -2.289400      -3.104100      -4.371700    
 H   -5.471700      -2.973400      0.4682000    
 H   -4.474500       1.196900       2.798200    
 H   -5.387700       1.901500       1.429900    
 H   -3.644900       2.141200       1.570100    
 H   -6.607300      4.3800000E-02   2.301900    
 H    2.697300      -2.253600      -1.347100    
 H   -1.017400       4.531300      0.2705000    
 H    2.798800       3.090300      -1.154800    
 H   0.1051000       6.552100       1.161800    
 H    3.887700       5.076900     -0.2450000    
 H    2.558000       6.825100      0.9072000    
 H    4.759100      -3.384800      -1.463200    
 H    3.639900      -1.154000       2.082400    
 H    6.888300      -3.985200     -0.3612000    
 H    5.725400      -1.759400       3.124800    
 H    7.375700      -3.174900       1.932200    


%chk=000169403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169403

0 1
O 1.484134 -0.710781 -1.116108
O -0.016683 2.595762 -0.378073
O 2.206738 -0.740096 1.133835
O -6.865589 -1.529567 2.232958
N -1.583153 -1.018867 -1.562414
N 3.187781 -2.087533 -0.556820
C -0.689535 0.123310 -1.803093
C 0.428700 0.275707 -0.752393
C -1.329806 -2.252153 -2.340779
C -2.660604 -0.911576 -0.677198
C 1.065551 1.676037 -0.754239
C -2.849522 0.267273 0.118572
C -3.611059 -1.976761 -0.525610
C -2.135532 -2.324522 -3.659029
C -3.921853 0.400456 1.020562
C -4.860866 -0.674714 1.158307
C -4.673310 -1.847454 0.371609
C -4.039744 1.684189 1.831673
C 2.306476 -1.156256 -0.045298
C 0.289580 3.967690 -0.266830
C -6.006663 -0.607229 2.078858
C -0.797790 4.802422 0.088365
C 1.576704 4.513962 -0.487276
C 4.209953 -2.796626 0.139147
C -0.593677 6.189776 0.222498
C 1.764145 5.909515 -0.347887
C 0.688287 6.752679 0.005019
C 5.012862 -3.688736 -0.620060
C 4.441607 -2.643985 1.531129
C 6.040568 -4.422528 0.005921
C 5.475775 -3.386213 2.141221
C 6.279488 -4.275786 1.392258
H -1.264249 1.066022 -1.829585
H -0.217279 0.002694 -2.795023
H 0.062562 0.043600 0.262916
H -1.545903 -3.132843 -1.709321
H -0.247918 -2.286527 -2.559689
H 1.884956 1.716307 -0.011733
H 1.457347 1.932015 -1.760507
H -2.139048 1.096188 0.050096
H -3.522635 -2.892459 -1.116262
H -3.221720 -2.295496 -3.465474
H -1.886657 -1.474124 -4.319548
H -1.904651 -3.259616 -4.202379
H -5.405166 -2.654915 0.490089
H -4.016282 1.487013 2.919237
H -4.982938 2.220749 1.617871
H -3.203646 2.365878 1.599786
H -6.102356 0.335136 2.670818
H 3.085804 -2.276589 -1.556340
H -1.782017 4.351501 0.251522
H 2.425177 3.878461 -0.757538
H -1.436545 6.833172 0.497894
H 2.760514 6.333365 -0.515994
H 0.843230 7.831236 0.111143
H 4.833547 -3.807360 -1.696508
H 3.820829 -1.959941 2.113152
H 6.653406 -5.107791 -0.589760
H 5.650788 -3.265952 3.216071
H 7.077388 -4.846118 1.878941


