%chk=000080462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080462

0 1
 O    1.363400      1.7000001E-02   2.807400    
 O   -1.329300      -2.479100      -1.227700    
 N    4.860200      0.4513000     -0.4646000    
 N   -4.672500      0.8772000     -0.4031000    
 C  -1.1800000E-02  -1.943700       1.250000    
 C    1.284900      -1.298600      0.8059000    
 C   -1.234400      -1.211600      0.8045000    
 C    3.653400     -0.1393000     -3.5799999E-02
 C   -3.518100      0.1758000      2.4000001E-03
 C    1.898400     -0.3547000       1.610700    
 C   -1.840100      -1.511600     -0.4156000    
 C    5.451500      7.4800000E-02  -1.733200    
 C    5.517700       1.452900      0.3512000    
 C   -5.301300      0.5827000      -1.675300    
 C   -5.237200       1.911400      0.4409000    
 C    1.827800      -1.676900     -0.4102000    
 C   -1.770700     -0.2180000       1.623600    
 C    3.092000      0.2294000       1.186700    
 C   -2.982000     -0.8179000     -0.8166000    
 C    3.021300      -1.092400     -0.8343000    
 C   -2.912400      0.4758000       1.222600    
 C    4.912100      0.9565000      -2.843000    
 C    4.864200       2.805900      0.1448000    
 C   -6.329500     -0.5194000      -1.507000    
 C   -4.607700       3.252400      0.1157000    
 H  -2.0400001E-02  -2.010800       2.348000    
 H  -2.3100000E-02  -3.003500      0.9704000    
 H    5.349100     -0.9892000      -1.968600    
 H    6.538800      0.2224000      -1.690300    
 H    6.571900       1.543400      5.9300002E-02
 H    5.557500       1.175000       1.410300    
 H   -4.593700      0.3694000      -2.483000    
 H   -5.833700       1.476900      -2.026800    
 H   -5.198300       1.684500       1.511000    
 H   -6.312500       1.994100      0.2327000    
 H    1.355300      -2.422600      -1.040600    
 H   -1.316300      2.6500000E-02   2.579500    
 H    3.543900      0.9649000       1.843200    
 H   -3.417600      -1.107500      -1.766400    
 H    3.392300      -1.411900      -1.801300    
 H   -3.266500       1.245500       1.898400    
 H    5.295600      0.6135000      -3.809700    
 H    5.227500       1.996200      -2.722700    
 H    3.818900      0.9377000      -2.890100    
 H    5.328600       3.545000      0.8063000    
 H    3.791500       2.800300      0.3573000    
 H    4.993000       3.165600     -0.8794000    
 H   -5.870000      -1.457600      -1.180500    
 H   -7.088100     -0.2461000     -0.7658000    
 H   -6.840200     -0.7078000      -2.456800    
 H   -3.532900       3.256800      0.3227000    
 H   -5.069100       4.042100      0.7174000    
 H   -4.743500       3.511400     -0.9397000    
 H    1.934100      0.6879000       3.219500    
 H  -0.7521000      -3.086700     -0.7451000    


%chk=000080462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080462

0 1
O 1.436015 -0.120027 2.928781
O -1.532478 -2.698578 -1.121857
N 4.947983 0.471987 -0.478000
N -4.714190 0.894300 -0.425590
C 0.003931 -2.032518 1.378657
C 1.306300 -1.400819 0.888693
C -1.254573 -1.297225 0.911119
C 3.748487 -0.121264 -0.044665
C -3.587176 0.178862 0.014963
C 1.993878 -0.434716 1.665748
C -1.939254 -1.626959 -0.290810
C 5.501934 0.161812 -1.810578
C 5.608935 1.518851 0.323088
C -5.332637 0.623842 -1.735573
C -5.315408 1.963442 0.390533
C 1.880270 -1.698150 -0.368930
C -1.781329 -0.209595 1.648702
C 3.175632 0.197773 1.225582
C -3.075924 -0.923595 -0.732236
C 3.058739 -1.089766 -0.841040
C -2.907736 0.521183 1.229678
C 4.819929 0.904010 -2.987559
C 4.964527 2.924813 0.214945
C -6.381967 -0.514585 -1.709912
C -4.659340 3.350930 0.182544
H 0.009611 -2.043407 2.482174
H -0.015143 -3.100445 1.069413
H 5.451137 -0.931161 -1.980074
H 6.577386 0.419578 -1.792549
H 6.662419 1.578083 -0.007872
H 5.640789 1.202929 1.384972
H -4.542359 0.393576 -2.474990
H -5.815409 1.557222 -2.084025
H -5.274520 1.680584 1.459158
H -6.389997 2.025637 0.131893
H 1.385908 -2.432347 -1.018041
H -1.267279 0.080933 2.572480
H 3.648088 0.939841 1.879281
H -3.551258 -1.272848 -1.651504
H 3.432909 -1.370126 -1.828358
H -3.244729 1.362963 1.840430
H 5.254116 0.577403 -3.951311
H 4.957347 1.996398 -2.901768
H 3.735680 0.699082 -3.009986
H 5.484923 3.640191 0.879507
H 3.898852 2.897470 0.501255
H 5.025833 3.308232 -0.818580
H -5.928166 -1.461597 -1.370460
H -7.209616 -0.269695 -1.019351
H -6.809740 -0.674280 -2.717797
H -3.587004 3.321585 0.442244
H -5.152151 4.116008 0.812017
H -4.742832 3.667768 -0.873106
H 1.999809 0.543303 3.398017
H -0.779253 -3.181590 -0.700151


