%chk=000115344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115344

0 1
 I    5.398600      -2.474600      -2.550800    
 O    4.059700       3.170400     -0.9091000    
 O   -5.708600      -3.210700      6.7299999E-02
 O   -7.563200      -1.157400     -0.1887000    
 N  -0.3914000       1.539800      0.2655000    
 N    2.375500       2.075100      0.2832000    
 N   -2.161900     -3.5599999E-02  0.1998000    
 N   -2.613400       2.326200      4.3499999E-02
 N   -4.819100       3.114900     -0.1777000    
 N    7.199600      -2.173500      0.1922000    
 N    6.708700      -3.127000      0.8330000    
 N    6.268600      -4.002900       1.417500    
 C   0.5573000      0.4250000      0.3999000    
 C   0.1177000       2.747900     -0.4053000    
 C    1.866200      0.9143000       1.017200    
 C    1.437900       3.191800      0.2220000    
 C   -1.761700       1.271100      0.1665000    
 C    3.640000       2.191300     -0.2942000    
 C    4.559800       1.052500     -0.1787000    
 C   -3.476600     -0.3012000      0.1047000    
 C   -4.424700      0.7269000     -2.5200000E-02
 C   -3.922400       2.025000     -4.9100000E-02
 C   -3.941200      -1.614000      0.1326000    
 C    4.563500      6.3100003E-02  -1.157900    
 C    5.423000      0.9697000      0.9100000    
 C   -5.796800      0.4372000     -0.1236000    
 C   -5.304000      -1.910100      3.5200000E-02
 C   -6.233100     -0.8836000     -9.3000002E-02
 C    5.437900      -1.017900      -1.047600    
 C    6.297300     -0.1115000       1.020500    
 C    6.304800      -1.105300      4.1700002E-02
 C   -5.796600      -3.892900      -1.182000    
 C   -8.301400      -1.223900       1.030400    
 H   0.7444000     -1.1500000E-02 -0.5891000    
 H   0.1582000     -0.3635000       1.048800    
 H  -0.5814000       3.588400     -0.3301000    
 H   0.2616000       2.528800      -1.470800    
 H    1.702800       1.235900       2.053100    
 H    2.587800      9.5200002E-02   1.041500    
 H    1.859500       4.027100     -0.3460000    
 H    1.276800       3.538300       1.250000    
 H   -3.228000      -2.430800      0.2335000    
 H    3.881000      0.1442000      -2.001100    
 H    5.424600       1.738900       1.677700    
 H   -6.543800       1.218500     -0.2340000    
 H    6.968900     -0.1678000       1.873400    
 H   -4.391300       4.032900     -0.2168000    
 H   -5.717900       3.057200      0.2842000    
 H   -4.815500      -3.935500      -1.665600    
 H   -6.519200      -3.400100      -1.840200    
 H   -6.137300      -4.914200     -0.9913000    
 H   -8.268800     -0.2617000       1.551100    
 H   -7.907600      -2.014900       1.676500    
 H   -9.342100      -1.455800      0.7882000    


%chk=000115344-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115344

0 1
I 5.378044 -2.370051 -2.088687
O 3.987776 3.381659 0.767974
O -5.919760 -3.151466 0.301868
O -7.772735 -0.902963 0.127088
N -0.362598 1.334312 -0.529887
N 2.230315 1.871636 0.506794
N -2.177964 -0.138351 -0.255470
N -2.526061 2.259788 -0.615213
N -4.629139 3.233857 -0.710518
N 7.777048 -1.784129 0.485875
N 7.933072 -2.891833 -0.107566
N 8.344494 -3.933193 -0.499557
C 0.588695 0.223029 -0.372733
C 0.242131 2.660276 -0.740894
C 1.597159 0.553349 0.750084
C 1.250224 2.977497 0.385765
C -1.735121 1.129647 -0.461270
C 3.581799 2.179603 0.639375
C 4.591401 1.059329 0.584708
C -3.550566 -0.305081 -0.182422
C -4.475175 0.798591 -0.314555
C -3.865271 2.099057 -0.547896
C -4.080392 -1.618312 0.011371
C 4.538267 0.037956 -0.395104
C 5.712303 1.115417 1.451095
C -5.874640 0.565936 -0.194728
C -5.457544 -1.834447 0.090893
C -6.372180 -0.721651 0.022224
C 5.559281 -0.931539 -0.495719
C 6.716030 0.142242 1.372912
C 6.661776 -0.909146 0.409957
C -6.788225 -3.689488 -0.773558
C -8.226627 -1.383000 1.455396
H 1.134904 0.060761 -1.326612
H 0.012423 -0.684423 -0.134123
H -0.567002 3.405437 -0.762112
H 0.771093 2.677538 -1.716571
H 1.051490 0.596725 1.715659
H 2.363367 -0.231518 0.828258
H 1.808412 3.904631 0.179493
H 0.708365 3.101088 1.345520
H -3.392496 -2.464573 0.081431
H 3.714195 0.019033 -1.114560
H 5.785311 1.936169 2.170265
H -6.610822 1.376251 -0.246280
H 7.577534 0.159104 2.046826
H -4.144188 4.113551 -0.875571
H -5.643707 3.209343 -0.713363
H -6.209422 -3.781590 -1.711776
H -7.667329 -3.040568 -0.934356
H -7.098458 -4.686121 -0.425184
H -7.998486 -0.626279 2.229980
H -7.742342 -2.341839 1.713779
H -9.315955 -1.511551 1.364496


