%chk=000172805.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172805

0 1
 O   0.3223000       1.833400      -1.615800    
 O  -0.2077000      -1.642200      0.4684000    
 O    4.953900      2.9800000E-02 -0.6150000    
 O   0.6258000       4.008700      -2.347200    
 N   -4.939100      -1.458600     -0.1470000    
 C   0.1796000       1.123000     -0.3446000    
 C    1.317000      0.1263000     -0.2248000    
 C   -1.175900      0.4493000     -0.3301000    
 C   0.2816000       2.244200      0.6387000    
 C    1.065900      -1.190100      0.1899000    
 C   -1.283900     -0.8793000      9.0000004E-02
 C   0.4592000       3.440900     -3.1800002E-02
 C    2.642200      0.5014000     -0.4877000    
 C    2.117700      -2.128900      0.3534000    
 C   -2.349500       1.132300     -0.6936000    
 C   0.4857000       3.186800      -1.463900    
 C   0.2229000       2.223400       2.023400    
 C   -2.530400      -1.510400      0.1560000    
 C    3.444400      -1.721000      7.9700001E-02
 C   -3.683700     -0.8203000     -0.2091000    
 C    3.688800     -0.4083000     -0.3405000    
 C   -3.593100      0.5010000     -0.6358000    
 C   0.5846000       4.652900      0.6219000    
 C   0.3468000       3.433500       2.712400    
 C    1.907200      -3.460300      0.7762000    
 C   0.5262000       4.640200       2.015700    
 C    4.503400      -2.631800      0.2310000    
 C   -6.144300     -0.7474000     -0.5257000    
 C   -5.040700      -2.839400      0.2832000    
 C    2.969600      -4.353900      0.9223000    
 C    4.266900      -3.939600      0.6497000    
 C   -6.650000      0.1276000      0.6025000    
 C   -4.726000      -3.797300     -0.8472000    
 C    5.412500     -0.1255000      -1.954500    
 H    2.871000       1.516700     -0.8044000    
 H   -2.308000       2.168400      -1.020100    
 H   8.4100001E-02   1.294900       2.567000    
 H   -2.538800      -2.540900      0.4953000    
 H   -4.448400       1.097100     -0.9334000    
 H   0.7233000       5.582100      8.1100002E-02
 H   0.3038000       3.442100       3.798200    
 H   0.9047000      -3.820900      0.9984000    
 H   0.6203000       5.570500       2.569000    
 H    5.533200      -2.342000      3.3799998E-02
 H   -6.021400     -0.1782000      -1.454200    
 H   -6.934600      -1.471500     -0.7648000    
 H   -4.434900      -3.049300       1.172100    
 H   -6.068200      -3.041800      0.6141000    
 H    2.780700      -5.372300       1.249200    
 H    5.095400      -4.632300      0.7640000    
 H   -6.857200     -0.4709000       1.496400    
 H   -5.934300      0.9037000      0.8879000    
 H   -7.580600      0.6231000      0.3077000    
 H   -4.849700      -4.831700     -0.5108000    
 H   -3.703600      -3.687300      -1.219700    
 H   -5.402400      -3.636800      -1.694000    
 H    5.349000      -1.169500      -2.276700    
 H    6.458900      0.1890000      -1.997000    
 H    4.830600      0.5089000      -2.630700    


%chk=000172805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172805

0 1
O 0.343566 1.325586 -1.986599
O -0.235256 -2.002729 -0.111383
O 5.114974 -0.242723 -0.074176
O 0.717377 3.302192 -3.177853
N -5.036364 -1.465722 0.032734
C 0.235958 0.893253 -0.464668
C 1.344986 -0.113698 -0.239211
C -1.129048 0.294625 -0.259538
C 0.449554 2.235737 0.234577
C 1.070046 -1.477918 -0.112734
C -1.318577 -1.102733 -0.143214
C 0.648443 3.267301 -0.703229
C 2.711019 0.323755 -0.225256
C 2.118479 -2.453548 0.031100
C -2.306817 1.086914 -0.258176
C 0.586921 2.711645 -2.086328
C 0.459921 2.513399 1.613838
C -2.586664 -1.699679 -0.046608
C 3.487646 -2.003368 0.042213
C -3.763803 -0.895623 -0.055537
C 3.755085 -0.587763 -0.090095
C -3.585303 0.529234 -0.154055
C 0.862300 4.603355 -0.308703
C 0.675536 3.851156 2.025005
C 1.842876 -3.851543 0.159612
C 0.874940 4.888848 1.075043
C 4.538545 -2.961739 0.181149
C -6.262341 -0.651387 -0.092040
C -5.219670 -2.916315 0.238670
C 2.888074 -4.770677 0.293456
C 4.244479 -4.323775 0.304378
C -6.741445 -0.041222 1.246297
C -5.199865 -3.737122 -1.072844
C 5.449981 1.173167 -0.243358
H 2.907866 1.392929 -0.336990
H -2.210287 2.175070 -0.343974
H 0.303494 1.717500 2.349365
H -2.624673 -2.788786 0.017774
H -4.449100 1.198056 -0.143906
H 1.010049 5.382483 -1.063659
H 0.687511 4.092017 3.093933
H 0.801254 -4.183074 0.147002
H 1.036993 5.915058 1.422177
H 5.571441 -2.604008 0.186221
H -6.102163 0.145607 -0.841283
H -7.057145 -1.301300 -0.504563
H -4.446532 -3.289914 0.935842
H -6.189467 -3.063628 0.750430
H 2.667766 -5.839496 0.389153
H 5.055926 -5.052404 0.408372
H -6.962244 -0.834589 1.983279
H -5.970176 0.617976 1.680977
H -7.662218 0.552390 1.094707
H -5.341702 -4.812921 -0.859359
H -4.242042 -3.612085 -1.606494
H -6.009269 -3.412113 -1.751218
H 5.085079 1.555314 -1.216186
H 6.548468 1.215793 -0.213582
H 5.028418 1.784738 0.578016


