%chk=000017104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017104

1 1
 O    1.139000      0.4208000      0.7515000    
 O    1.417300      0.8291000      -1.510400    
 N   -4.361900      4.4399999E-02 -0.2098000    
 N    3.267800      0.7861000     -0.1042000    
 C   -2.939400      0.1525000      4.0700000E-02
 C    5.999200     -9.8399997E-02  0.1960000    
 C    5.347600      2.6200000E-02  -1.180700    
 C    4.951100     -0.3707000       1.274400    
 C    4.229400       1.064600      -1.170700    
 C    3.837500      0.6734000       1.242700    
 C  -0.7738000     -0.9070000      0.1961000    
 C   -2.361300       1.381100      0.3604000    
 C   -2.145700     -0.9914000     -4.1600000E-02
 C   6.0800001E-02  -2.141800      0.1041000    
 C   -4.775000      -1.415900     -0.5461000    
 C   -4.806200      0.9499000      -1.392700    
 C   -5.275500      0.4603000      0.9846000    
 C  -0.2347000      0.3186000      0.5088000    
 C  -0.9893000       1.465700      0.5981000    
 C    1.902000      0.6916000     -0.3878000    
 C   -3.189700       2.620600      0.4547000    
 C   4.8500001E-02  -2.754800      -1.308200    
 C  -0.3476000      -3.205000       1.140300    
 H    6.739700     -0.9058000      0.1851000    
 H    6.535700      0.8286000      0.4326000    
 H    6.101800      0.2970000      -1.927600    
 H    4.936400     -0.9483000      -1.472100    
 H    4.519600      -1.366300       1.111500    
 H    5.425600     -0.3799000       2.261700    
 H    4.637300       2.065900     -0.9891000    
 H    3.732100       1.084000      -2.145600    
 H    3.073900      0.4172000       1.981800    
 H    4.232300       1.660800       1.509900    
 H   -2.532000      -1.973200     -0.2827000    
 H    1.109300      -1.907600      0.3221000    
 H   -5.853400      -1.428600     -0.7430000    
 H   -4.573500      -2.056100      0.3193000    
 H   -4.264200      -1.730800      -1.462100    
 H   -5.165500       1.918900      -1.045900    
 H   -3.978900       1.036300      -2.104100    
 H   -5.649800      0.4600000      -1.891000    
 H   -6.230700     -6.6799998E-02  0.8892000    
 H   -5.497800       1.526000      0.9693000    
 H   -4.780400      0.1560000       1.911400    
 H  -0.5207000       2.412700      0.8491000    
 H   -2.537600       3.457100      0.7467000    
 H   -3.590000       2.951000     -0.5019000    
 H   -3.920000       2.597100       1.259900    
 H  -0.9434000      -3.124200      -1.589600    
 H   0.7446000      -3.598800      -1.365300    
 H   0.3562000      -2.015600      -2.056100    
 H  -0.3254000      -2.788900       2.153700    
 H   0.3442000      -4.054000       1.111000    
 H   -1.355500      -3.593100      0.9587000    


%chk=000017104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017104

1 1
O 1.164576 0.632021 0.580437
O 1.556994 0.343471 -1.739352
N -4.513328 -0.013609 -0.144987
N 3.334864 0.725200 -0.239950
C -2.995013 0.203612 0.045483
C 6.053760 -0.077785 0.454273
C 5.476664 -0.324261 -0.959484
C 4.923121 -0.064041 1.509797
C 4.380720 0.708848 -1.298691
C 3.826908 0.962436 1.141828
C -0.748579 -0.849807 0.062949
C -2.461340 1.488369 0.378535
C -2.152472 -0.920980 -0.091816
C 0.110163 -2.106495 -0.074002
C -4.856770 -1.417408 -0.657144
C -5.077498 0.959928 -1.189912
C -5.236545 0.146487 1.199961
C -0.214904 0.428453 0.359465
C -1.053336 1.545996 0.524511
C 2.032411 0.547455 -0.595470
C -3.194536 2.817995 0.544265
C 0.069926 -2.654648 -1.525827
C -0.303852 -3.192623 0.955320
H 6.801096 -0.852399 0.704225
H 6.584708 0.896174 0.470337
H 6.274036 -0.259915 -1.722910
H 5.046618 -1.343027 -1.018507
H 4.468972 -1.071725 1.584083
H 5.325146 0.189895 2.508412
H 4.824224 1.723688 -1.361190
H 3.890870 0.486355 -2.259593
H 2.978169 0.912589 1.837638
H 4.251567 1.986805 1.183912
H -2.559014 -1.905072 -0.330210
H 1.154439 -1.823912 0.149814
H -5.946120 -1.457094 -0.809744
H -4.569635 -2.171168 0.088448
H -4.342066 -1.598929 -1.611233
H -4.967647 1.991206 -0.842163
H -4.517846 0.820478 -2.126473
H -6.144127 0.732177 -1.342236
H -6.315568 -0.014865 1.047855
H -5.061106 1.151243 1.600263
H -4.831552 -0.600598 1.897945
H -0.581044 2.503923 0.764288
H -2.573656 3.500095 1.147030
H -3.348762 3.318921 -0.430722
H -4.171624 2.762233 1.052013
H -0.950013 -2.982563 -1.805369
H 0.735583 -3.531451 -1.618090
H 0.403827 -1.883887 -2.240166
H -0.258331 -2.811975 1.991390
H 0.376252 -4.059349 0.878609
H -1.329334 -3.565967 0.769254


