%chk=000156275.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156275

0 1
 O   -1.686000     -0.5496000       2.115300    
 O   -2.940900       1.373700       1.841800    
 O   0.6851000      -1.909500     -0.6219000    
 O    2.768800       2.147000      0.4161000    
 N  -0.6643000      -2.244500     -0.4509000    
 C   -3.717800     -0.1000000     -0.7547000    
 C   -3.517700     -0.5782000      0.6536000    
 C   -2.840900      -1.286900     -0.4827000    
 C   -3.088900       1.197400      -1.136300    
 C   -5.023700     -0.3506000      -1.430300    
 C   -2.696000      0.2011000       1.596600    
 C   -1.370100      -1.179400     -0.6170000    
 C  -0.8328000      0.1269000       3.044000    
 C   0.5725000      0.1122000       2.518500    
 C    1.458500      -3.087900     -0.4376000    
 C    1.428700      -3.935900      -1.712100    
 C    1.022600       1.149000       1.701100    
 C    1.429000     -0.9384000       2.847600    
 C    2.000500      -3.168200      -2.905900    
 C    2.195900      -5.239600      -1.502800    
 C    2.329200       1.135200       1.212900    
 C    2.735500     -0.9523000       2.359500    
 C    3.185600      8.4500000E-02   1.542100    
 C    1.934700       2.571400     -0.6047000    
 C    1.288300       1.635400      -1.412000    
 C    1.741000       3.935000     -0.8256000    
 C   0.4481000       2.063000      -2.440000    
 C   0.9007000       4.362500      -1.853700    
 C   0.2543000       3.426500      -2.660900    
 H   -4.354100      -1.090200       1.120300    
 H   -3.242600      -2.262400     -0.7459000    
 H   -3.792000       2.020900     -0.9642000    
 H   -2.172100       1.456200     -0.6005000    
 H   -2.846200       1.195000      -2.205100    
 H   -5.741100      0.4412000      -1.189300    
 H   -4.896300     -0.3767000      -2.517800    
 H   -5.471900      -1.303100      -1.126400    
 H  -0.9115000     -0.2126000     -0.8643000    
 H   -1.144400       1.154300       3.266900    
 H  -0.8853000     -0.4176000       3.994200    
 H    2.484700      -2.776400     -0.2140000    
 H    1.094100      -3.649800      0.4317000    
 H   0.3882000      -4.186300      -1.954000    
 H   0.3479000       1.970200       1.470700    
 H    1.089300      -1.754000       3.480200    
 H    3.038300      -2.868200      -2.724400    
 H    1.417500      -2.264600      -3.112100    
 H    1.980900      -3.786600      -3.809700    
 H    3.249400      -5.048500      -1.271600    
 H    2.154400      -5.864700      -2.401100    
 H    1.766200      -5.814800     -0.6759000    
 H    3.401600      -1.771700       2.613600    
 H    4.203900      6.7400001E-02   1.163700    
 H    1.450000      0.5701000      -1.282600    
 H    2.241700       4.668400     -0.1995000    
 H  -4.9600001E-02   1.334100      -3.073000    
 H   0.7498000       5.424200      -2.025600    
 H  -0.3991000       3.759100      -3.462100    


%chk=000156275-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156275

0 1
O -2.314675 0.585477 2.738276
O -1.816937 1.157470 0.527893
O 0.545084 -1.788634 -2.239651
O 3.140528 2.191363 1.782203
N -0.503810 -2.377058 -1.392276
C -3.848704 -1.200054 -0.176545
C -2.949245 -0.960644 1.073155
C -2.456970 -1.858340 -0.120247
C -4.125605 -0.065770 -1.160589
C -5.044475 -2.125897 0.051578
C -2.306155 0.346767 1.358695
C -1.336339 -1.442788 -0.993693
C -1.673134 1.874622 3.196563
C -0.193512 1.698940 3.459542
C 1.450742 -2.875719 -2.679732
C 0.838378 -3.751786 -3.789486
C 0.744666 1.998288 2.440336
C 0.256998 1.254609 4.728126
C 0.495261 -2.914245 -5.041521
C 1.810487 -4.906658 -4.127107
C 2.125053 1.840193 2.700081
C 1.640624 1.105423 4.973240
C 2.580747 1.396660 3.963223
C 2.911353 2.190153 0.377656
C 2.204448 1.157010 -0.278658
C 3.531103 3.229603 -0.348900
C 2.107051 1.180761 -1.688305
C 3.431075 3.238855 -1.757846
C 2.716572 2.219502 -2.430796
H -3.230292 -1.504529 1.979072
H -2.440929 -2.928879 0.115580
H -5.040538 0.478271 -0.860688
H -3.302958 0.664287 -1.208920
H -4.293364 -0.479402 -2.172382
H -5.901554 -1.560954 0.463451
H -5.363849 -2.581757 -0.904379
H -4.806258 -2.944630 0.754552
H -1.214506 -0.386900 -1.274126
H -1.864601 2.640704 2.426280
H -2.229036 2.101680 4.119512
H 2.342447 -2.334112 -3.048717
H 1.726985 -3.484067 -1.798006
H -0.098004 -4.181244 -3.380330
H 0.390745 2.340982 1.463127
H -0.471204 1.025275 5.514412
H 1.414706 -2.503628 -5.503145
H -0.163297 -2.066680 -4.781098
H -0.017896 -3.532308 -5.801106
H 2.772024 -4.515409 -4.512924
H 1.380705 -5.562966 -4.905572
H 2.026719 -5.530431 -3.239359
H 1.990748 0.764267 5.953418
H 3.657023 1.295197 4.131509
H 1.744165 0.343637 0.290987
H 4.078912 4.005282 0.194682
H 1.557375 0.376165 -2.188700
H 3.909232 4.044006 -2.326860
H 2.637491 2.232740 -3.523286


