%chk=000000672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000672

0 1
 O   -1.282000      -1.079700      0.6362000    
 O   -3.695100      0.5208000      -1.616600    
 O   -5.442400      -1.173400     -0.2711000    
 O   -5.402300      4.7100000E-02   2.245000    
 O    4.854100     -0.3193000       1.093300    
 O    2.144400      -3.701200     -0.4395000    
 N   0.4898000      0.6654000     -0.7085000    
 N    2.928000       1.458500      0.4536000    
 N    1.323000      -1.583100     -0.5785000    
 N    3.496200      -2.045800      0.3226000    
 C   -1.807400     -4.8799999E-02 -0.2010000    
 C   -3.172400     -0.4950000     -0.7615000    
 C  -0.7859000      0.2519000      -1.304200    
 C   -4.207700     -0.7930000      0.3395000    
 C   0.7642000       2.018400     -0.4337000    
 C    1.443300     -0.3032000     -0.3911000    
 C   -4.464100      0.4154000       1.238800    
 C    1.948100       2.368700      0.1257000    
 C    2.721700      0.2003000      0.2242000    
 C  -0.3022000       3.036300     -0.7668000    
 C    2.325900       3.792700      0.4364000    
 C    3.820500     -0.7391000      0.6018000    
 C    2.302400      -2.493800     -0.2446000    
 H   -1.921500      0.8441000      0.4173000    
 H   -3.044500      -1.397600      -1.372500    
 H  -0.6283000     -0.6477000      -1.913600    
 H   -1.167600       1.001000      -2.005300    
 H   -3.883600      -1.646800      0.9446000    
 H   -3.565200      0.7647000       1.750800    
 H   -4.901900       1.249000      0.6814000    
 H   -1.176700      -1.879400      9.2799999E-02
 H   -4.455000      0.1438000      -2.091100    
 H  -5.2600000E-02   4.046800     -0.4318000    
 H   -1.254700       2.794900     -0.2887000    
 H  -0.4495000       3.094800      -1.850200    
 H   -5.830200     -0.3859000     -0.6884000    
 H    3.379900       3.869000      0.7271000    
 H    1.727300       4.176700       1.268700    
 H    2.193600       4.438700     -0.4376000    
 H    4.189500      -2.753000      0.5499000    
 H   -5.006600     -0.6730000       2.765200    


%chk=000000672-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000672

0 1
O -1.645747 -1.784541 -0.136535
O -3.285879 1.415651 -0.900814
O -5.504437 0.029784 -0.480994
O -5.437481 -0.752885 2.134541
O 4.842663 -0.338361 1.285091
O 1.663940 -3.673125 0.559459
N 0.539213 0.715003 -0.717807
N 2.947786 1.650303 0.366146
N 1.044453 -1.500084 -0.064873
N 3.220739 -1.966666 0.870231
C -1.745643 -0.354710 -0.344302
C -3.152156 -0.049456 -0.880192
C -0.683374 0.159413 -1.365948
C -4.280016 -0.662851 -0.024109
C 0.783481 2.083873 -0.670542
C 1.426648 -0.213242 -0.131135
C -4.134034 -0.448881 1.493621
C 2.006959 2.534137 -0.106565
C 2.676630 0.332996 0.350502
C -0.250028 3.030629 -1.222887
C 2.359917 4.002556 -0.006719
C 3.691337 -0.635071 0.875318
C 1.942550 -2.450552 0.453460
H -1.610349 0.215041 0.604061
H -3.257252 -0.450582 -1.910700
H -0.371314 -0.693289 -1.994577
H -1.122629 0.943331 -1.995213
H -4.347337 -1.746186 -0.240784
H -3.322291 -1.077178 1.902271
H -3.952987 0.613102 1.727362
H -0.642449 -1.975212 -0.074593
H -4.271512 1.576591 -0.935123
H -0.030582 4.056290 -0.895198
H -1.274843 2.765698 -0.902899
H -0.245696 3.030515 -2.330748
H -6.166606 -0.069875 0.257607
H 3.375313 4.080812 0.409623
H 1.669377 4.552657 0.659908
H 2.345431 4.505250 -0.991067
H 3.867390 -2.679728 1.225438
H -5.516683 -1.730959 2.268285


