%chk=000048576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048576

0 1
 O  -0.5275000      0.7878000      -1.776000    
 O   -3.410700      -1.052000       1.346200    
 O   0.6389000      -3.042400      0.5813000    
 N   0.2012000      -1.025200     -0.5104000    
 N   -1.347800      -1.991000      0.9926000    
 C   -1.721000      0.3085000      0.2668000    
 C   -1.068400       1.134400       1.390300    
 C   -2.876900       1.117200     -0.3430000    
 C  -0.6501000      5.5300001E-02 -0.7927000    
 C   -2.269600     -0.9617000      0.8958000    
 C    1.416300      -1.154300      -1.305900    
 C  -0.1005000      -2.075800      0.3778000    
 C  -0.5667000       2.438300      0.8653000    
 C   -3.628400      0.3002000      -1.342000    
 C    2.572200     -0.4209000     -0.6893000    
 C    2.801400      0.9080000      -1.025600    
 C    3.401400      -1.078100      0.2123000    
 C   -1.000700       3.627900       1.296500    
 C   -4.925100     -7.0000002E-03  -1.225300    
 C    3.875100       1.589700     -0.4526000    
 C    4.475000     -0.3964000      0.7853000    
 C    4.711900      0.9375000      0.4528000    
 H  -0.2195000      0.5957000       1.831400    
 H   -1.782200       1.290100       2.210400    
 H   -2.526900       2.017600     -0.8626000    
 H   -3.556200       1.465100      0.4473000    
 H    1.238900     -0.7743000      -2.319900    
 H    1.675200      -2.212800      -1.434400    
 H   -1.636300      -2.803900       1.530000    
 H   0.2380000       2.432100      0.1360000    
 H   -3.100300     -4.5800000E-02  -2.226600    
 H    2.161100       1.427800      -1.732200    
 H    3.231900      -2.117500      0.4774000    
 H  -0.5774000       4.543900      0.8991000    
 H   -1.780900       3.710800       2.044900    
 H   -5.420400     -0.5953000      -1.990000    
 H   -5.512800      0.3183000     -0.3742000    
 H    4.059900       2.628000     -0.7120000    
 H    5.127300     -0.9044000       1.489700    
 H    5.548000       1.468100      0.8988000    


%chk=000048576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048576

0 1
O -0.356904 1.054612 -1.560919
O -3.199108 -0.842834 1.862601
O 0.544009 -3.108510 0.347561
N 0.157007 -0.975079 -0.558272
N -1.317820 -1.918667 1.063814
C -1.739771 0.440549 0.358554
C -1.167582 1.440830 1.462804
C -2.989602 1.068488 -0.338537
C -0.623955 0.201141 -0.671151
C -2.172110 -0.808431 1.137727
C 1.372716 -1.108982 -1.430788
C -0.152807 -2.061915 0.288794
C -0.846079 2.828817 0.953030
C -3.548918 0.209119 -1.454462
C 2.614563 -0.497820 -0.792677
C 3.001696 0.830578 -1.103178
C 3.399874 -1.255905 0.113981
C -1.367498 3.963670 1.482512
C -4.740831 -0.436707 -1.405172
C 4.155278 1.394766 -0.513189
C 4.551702 -0.690641 0.704730
C 4.932306 0.635764 0.392585
H -0.256792 0.983809 1.902859
H -1.929720 1.495885 2.261847
H -2.680305 2.052066 -0.735425
H -3.752751 1.231851 0.442509
H 1.126482 -0.603562 -2.377727
H 1.508683 -2.187837 -1.604715
H -1.563952 -2.735685 1.632673
H -0.128576 2.895132 0.124315
H -2.929259 0.135723 -2.361159
H 2.393511 1.416713 -1.801770
H 3.101248 -2.283558 0.352231
H -1.080276 4.952515 1.108077
H -2.091679 3.938627 2.306755
H -5.103240 -1.037086 -2.247541
H -5.384167 -0.383057 -0.518363
H 4.449304 2.420758 -0.761325
H 5.154400 -1.283846 1.401532
H 5.828324 1.072208 0.848177


