%chk=000051607.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051607

0 1
 O    2.726800       2.839400      -1.416800    
 O  -4.9899999E-02  -2.890900     -0.2273000    
 O    2.517900      -3.654600     -8.5000001E-02
 O   -4.785900       1.398100     -0.1357000    
 O   -4.306200      -1.244100      0.5660000    
 N    2.444300       2.818200     -7.4699998E-02
 C    1.262000       1.884100      0.2360000    
 C    1.601900      0.4001000      0.1292000    
 C    3.654200       2.330900      0.6963000    
 C   1.9500000E-02   2.213000     -0.6145000    
 C    4.083400      0.9426000      0.2496000    
 C    2.941300     -3.3300001E-02  0.1817000    
 C   0.5425000     -0.5418000      5.0299998E-02
 C   -1.127000       1.284500     -0.2921000    
 C  -0.8620000     -6.5399997E-02  2.6200000E-02
 C    2.140900       4.228000      0.3668000    
 C    3.230400      -1.400500      0.1073000    
 C   0.8760000      -1.906300     -2.2600001E-02
 C    2.203900      -2.330800      5.2999998E-03
 C   -2.445500       1.761300     -0.3578000    
 C   -1.961300     -0.8939000      0.3172000    
 C   -3.513900      0.9161000     -7.6499999E-02
 C   -3.271600     -0.4088000      0.2663000    
 C  -0.3220000      -3.247300      -1.579000    
 C    2.608100      -4.382900       1.137200    
 C   -5.324200       1.957200       1.061300    
 C   -4.883600      -1.973000     -0.5149000    
 H    1.037900       2.073800       1.296200    
 H    3.373000       2.347500       1.756200    
 H    4.458800       3.054800      0.5247000    
 H   0.2395000       2.122600      -1.685800    
 H  -0.2954000       3.246000     -0.4343000    
 H    4.849000      0.5745000      0.9431000    
 H    4.541600      0.9989000     -0.7455000    
 H    1.853800       4.205600       1.420700    
 H    3.047400       4.822100      0.2183000    
 H    1.341600       4.622400     -0.2632000    
 H    4.264300      -1.738300      0.1214000    
 H   -2.636200       2.797900     -0.6264000    
 H   -1.843900      -1.917600      0.6551000    
 H  -0.5778000      -2.365800      -2.176100    
 H   -1.175900      -3.930500      -1.586500    
 H   0.5364000      -3.760700      -2.022600    
 H    3.400300      -3.971600       1.770800    
 H    2.853900      -5.421500      0.8999000    
 H    1.652200      -4.362700       1.670200    
 H   -5.354100       1.206900       1.857700    
 H   -6.345300       2.289200      0.8551000    
 H   -4.732700       2.821200       1.380500    
 H   -4.137800      -2.627300     -0.9776000    
 H   -5.299600      -1.289900      -1.262200    
 H   -5.693100      -2.591400     -0.1175000    


%chk=000051607-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051607

0 1
O 2.768647 2.978072 -1.431340
O -0.006531 -2.899431 -0.127483
O 2.734552 -3.656330 -0.049312
O -4.739092 1.541652 -0.199462
O -4.267771 -1.208151 0.716595
N 2.470556 2.897464 -0.041684
C 1.282098 1.920793 0.231641
C 1.693548 0.449284 0.140405
C 3.706153 2.389492 0.735416
C 0.150231 2.192495 -0.770795
C 4.156061 1.083508 0.092529
C 3.050647 0.046807 0.117149
C 0.633668 -0.518446 0.068626
C -1.023624 1.301605 -0.411417
C -0.777791 -0.038784 0.026590
C 2.125305 4.286160 0.481998
C 3.371737 -1.328150 0.079081
C 0.990448 -1.897191 -0.008909
C 2.355692 -2.296059 0.034696
C -2.344149 1.792164 -0.466864
C -1.889657 -0.842432 0.397202
C -3.442602 0.988865 -0.095091
C -3.206028 -0.350575 0.324512
C -0.048459 -3.542256 -1.463217
C 2.271524 -4.510453 1.068851
C -5.507827 1.585869 1.066910
C -5.165645 -1.594009 -0.395504
H 0.933862 2.147073 1.262697
H 3.429643 2.264726 1.800539
H 4.470040 3.176498 0.628821
H 0.557828 1.993921 -1.780865
H -0.162065 3.250156 -0.752819
H 5.065602 0.708510 0.595082
H 4.406707 1.324950 -0.959422
H 1.943521 4.277009 1.572577
H 2.979075 4.931180 0.229881
H 1.240116 4.644169 -0.060262
H 4.413891 -1.664229 0.080121
H -2.545080 2.820598 -0.785627
H -1.741394 -1.870918 0.728764
H -0.306314 -2.793761 -2.235391
H -0.839015 -4.305752 -1.398611
H 0.924624 -4.011450 -1.694576
H 2.728365 -4.172075 2.018625
H 2.623885 -5.524487 0.825403
H 1.170631 -4.489709 1.150362
H -5.589682 0.580356 1.516249
H -6.500715 1.973248 0.791962
H -5.019014 2.276175 1.780729
H -4.606086 -2.175603 -1.153125
H -5.616567 -0.702452 -0.869285
H -5.945649 -2.224094 0.059051


