%chk=000157561.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157561

0 1
 O    2.650500      0.9376000       1.894500    
 O    3.460400       1.075200      -1.679300    
 O   -3.811600       1.848200      0.6432000    
 O   -4.677800      0.1394000     -0.8167000    
 N    1.007600      -2.274600     -0.4259000    
 C   0.7864000     -0.2186000      0.6968000    
 C    1.450200       1.082600       1.104200    
 C    1.545900     -0.8969000     -0.4721000    
 C    2.819400       1.463400      0.5796000    
 C   0.8245000      -1.307900       1.788000    
 C    3.077300     -0.8693000     -0.3229000    
 C    3.583400      0.5749000     -0.3482000    
 C  -0.6921000     -7.6800004E-02  0.2672000    
 C   0.9399000      -2.623200       1.010600    
 C  -0.3463000      -2.252000      -1.027000    
 C   -1.231300      -1.108200     -0.5650000    
 C   -1.547700      0.9389000      0.7230000    
 C   -2.572600      -1.079600     -0.9774000    
 C   -2.864100      0.9317000      0.3000000    
 C   -3.360600     -4.4000000E-02 -0.5292000    
 C    3.915000       2.416300      -1.770200    
 C   -4.956500       1.342900     -7.3200002E-02
 H   0.7984000       1.881500       1.416800    
 H    1.313900     -0.4225000      -1.437600    
 H    3.104600       2.504800      0.5622000    
 H  -6.5399997E-02  -1.297500       2.428500    
 H    1.692700      -1.212400       2.449200    
 H    3.393600      -1.348900      0.6109000    
 H    3.530200      -1.434800      -1.147000    
 H    4.646200      0.5737000     -7.5700000E-02
 H    1.864800      -3.138700       1.295400    
 H   0.1199000      -3.311700       1.245900    
 H  -0.8472000      -3.210100     -0.8391000    
 H  -0.2310000      -2.170500      -2.115900    
 H   -1.223800       1.715200       1.404600    
 H   -2.978800      -1.853000      -1.620700    
 H    3.125900       3.117700      -1.484100    
 H    4.145600       2.614500      -2.821700    
 H    4.829400       2.587600      -1.192500    
 H   -5.302900       2.114400     -0.7706000    
 H   -5.756400       1.133800      0.6463000    


%chk=000157561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157561

0 1
O 2.618718 0.955765 2.105276
O 3.329968 1.167167 -1.651585
O -3.913737 1.861415 0.656903
O -4.769474 0.168216 -0.823156
N 1.037017 -2.287289 -0.471333
C 0.761435 -0.240689 0.740923
C 1.395002 1.071367 1.206680
C 1.556719 -0.887359 -0.454121
C 2.738369 1.520334 0.707321
C 0.830476 -1.377013 1.828082
C 3.078563 -0.803556 -0.262251
C 3.535872 0.663790 -0.273984
C -0.709206 -0.104609 0.284827
C 1.011936 -2.689522 0.978689
C -0.325933 -2.262549 -1.075016
C -1.228531 -1.119499 -0.576002
C -1.569400 0.934224 0.752770
C -2.585330 -1.093910 -1.005830
C -2.895065 0.930538 0.321095
C -3.396307 -0.058567 -0.545108
C 4.108697 2.364926 -1.970374
C -5.130363 1.394154 -0.060318
H 0.725814 1.863013 1.561228
H 1.307116 -0.389014 -1.407564
H 2.954654 2.597667 0.689951
H -0.087030 -1.398663 2.438924
H 1.690178 -1.204440 2.497630
H 3.387554 -1.265826 0.692403
H 3.580058 -1.342375 -1.084161
H 4.617656 0.731361 -0.020917
H 1.969619 -3.179299 1.229737
H 0.205761 -3.423756 1.147148
H -0.809363 -3.238870 -0.882546
H -0.209569 -2.181274 -2.174446
H -1.228878 1.714114 1.437220
H -2.980560 -1.868972 -1.670135
H 3.744543 3.264910 -1.433620
H 3.989026 2.523039 -3.054045
H 5.184510 2.218025 -1.736178
H -5.452380 2.176358 -0.769568
H -5.908534 1.139767 0.680350


