%chk=000173594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173594

0 1
 O    4.911500     -0.5584000     -0.9900000    
 O    2.743700       1.272800      -1.565900    
 O    2.154000       2.406500      0.3057000    
 O   -2.142200      -1.181500      -1.599900    
 O   -1.480100       1.802200      0.2053000    
 O   -3.225500       2.981900     -0.6173000    
 N    2.909200      0.4062000       1.950800    
 N   -2.000500      -3.644700     -5.7000000E-02
 N   -2.828700     -0.4312000      0.4863000    
 C    2.343500      -1.109600      8.7800004E-02
 C    3.121100      0.1596000      0.5163000    
 C   0.8380000      -1.071000      0.3985000    
 C   0.1018000      -2.359600      1.0000000E-03
 C   -1.390700      -2.379800      0.3595000    
 C    4.638500      5.5000000E-03  0.2878000    
 C    2.626300       1.406800     -0.2194000    
 C   -2.148500      -1.279700     -0.3736000    
 C   -3.619600      0.6831000      1.8100001E-02
 C   -4.775000      0.9563000      0.9694000    
 C   -2.776900       1.934500     -0.1634000    
 H    2.460200      -1.278900     -0.9902000    
 H    2.780300      -1.984600      0.5880000    
 H   0.6749000     -0.9150000       1.470400    
 H   0.3867000     -0.2215000     -0.1245000    
 H   0.5969000      -3.208500      0.4912000    
 H   0.2283000      -2.509100      -1.079900    
 H   -1.502200      -2.275900       1.444500    
 H    5.074900     -0.6689000       1.034300    
 H    5.154300      0.9706000      0.3549000    
 H    1.942900      0.6759000       2.127900    
 H    3.482700       1.191700       2.257100    
 H   -2.964200      -3.683900      0.2738000    
 H   -1.515400      -4.421000      0.3914000    
 H   -2.716400     -0.5444000       1.489500    
 H   -4.011400      0.4232000     -0.9726000    
 H    5.877800     -0.6337000      -1.068400    
 H    2.414600       2.064700      -2.042100    
 H   -4.410900       1.244600       1.962200    
 H   -5.406800       1.770900      0.5997000    
 H   -5.401600      6.6000000E-02   1.089200    
 H  -0.9717000       2.629400      6.5399997E-02


%chk=000173594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173594

0 1
O 4.000755 0.222478 -1.629516
O 1.625826 1.484550 -1.017968
O 1.197254 1.949498 1.206309
O -2.319621 -1.718292 -1.580353
O -1.360712 2.083156 1.026626
O -0.886299 1.934061 -1.239933
N 3.296799 0.261021 2.076010
N -2.086977 -3.946235 0.139706
N -2.541525 -0.418047 0.343495
C 2.209539 -1.146718 0.325865
C 2.897752 0.225671 0.664408
C 0.733967 -1.280285 0.775848
C 0.068985 -2.592748 0.296265
C -1.484747 -2.661279 0.526805
C 4.194337 0.395696 -0.199110
C 1.858927 1.321745 0.320423
C -2.164400 -1.571970 -0.331469
C -2.916850 0.839300 -0.345329
C -4.160625 1.498653 0.271975
C -1.652156 1.708994 -0.251645
H 2.272337 -1.287898 -0.768653
H 2.836051 -1.923067 0.803720
H 0.648750 -1.198499 1.879784
H 0.155398 -0.436612 0.354463
H 0.523641 -3.459697 0.817370
H 0.251930 -2.732005 -0.787577
H -1.686925 -2.470366 1.601998
H 4.897468 -0.392364 0.113631
H 4.650341 1.386154 0.029929
H 2.525147 0.063391 2.721943
H 3.782317 1.124472 2.346241
H -2.268117 -3.997638 -0.869674
H -1.598266 -4.768897 0.504327
H -2.406285 -0.368292 1.356570
H -3.072665 0.586239 -1.406520
H 3.240982 0.799929 -1.912897
H 0.683711 1.890581 -1.210411
H -3.987841 1.762840 1.329617
H -4.418102 2.423198 -0.274089
H -5.016219 0.805715 0.207015
H -0.350084 2.295065 1.146603


