%chk=000053864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053864

0 1
 O   -5.325100     -0.5595000     -0.3021000    
 O    1.122300      -1.274500     -9.6199997E-02
 N    3.565300     -0.1646000      2.5400000E-02
 N   4.3900002E-02  0.8108000     -7.0900001E-02
 C    6.004400     -0.4005000      8.2300000E-02
 C    4.823500      0.5686000      0.1011000    
 C    7.335700      0.3496000      0.1394000    
 C    2.431800      0.7491000      9.2000002E-03
 C    8.515400     -0.6094000      0.1567000    
 C    1.141000     -4.8300002E-02 -6.0899999E-02
 C   -1.326200      0.4610000     -0.1293000    
 C   -1.682200     -0.8763000     -0.1850000    
 C   -2.281600       1.463600     -0.1298000    
 C   -4.007500     -0.2233000     -0.2441000    
 C   -3.032600      -1.220800     -0.2429000    
 C   -3.632000       1.118900     -0.1876000    
 C   -6.249500      0.3253000      0.3292000    
 C   -7.446300     -0.4698000      0.8055000    
 H    5.971700      -1.012700     -0.8280000    
 H    5.933000      -1.087200      0.9354000    
 H    4.909900       1.260700     -0.7455000    
 H    4.856600       1.160000       1.024000    
 H    7.371600      0.9774000       1.037300    
 H    7.425300       1.015900     -0.7265000    
 H    3.556000     -0.7345000     -0.8204000    
 H    2.410500       1.354100      0.9232000    
 H    2.476500       1.414200     -0.8612000    
 H    8.527500      -1.232500     -0.7433000    
 H    8.473300      -1.267600       1.030400    
 H    9.456400     -5.1899999E-02  0.1966000    
 H   0.2324000       1.810400     -3.3000000E-02
 H  -0.9897000      -1.704700     -0.1885000    
 H   -1.999200       2.512100     -9.2200004E-02
 H   -3.320700      -2.267700     -0.2871000    
 H   -4.357400       1.926600     -0.2148000    
 H   -5.810600      0.8160000       1.207000    
 H   -6.571900       1.083900     -0.3926000    
 H   -8.182400      0.1805000       1.286500    
 H   -7.925600     -0.9850000     -3.3599999E-02
 H   -7.137800      -1.242100       1.518000    


%chk=000053864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053864

0 1
O -5.357497 -0.743592 0.069438
O 1.238252 -1.039468 -0.496828
N 3.639149 0.171541 0.205545
N 0.066561 0.901956 0.127716
C 6.078302 -0.300756 0.224147
C 4.965476 0.686181 -0.177355
C 7.488503 0.187721 -0.176967
C 2.507685 1.027346 -0.152650
C 8.600904 -0.802507 0.230102
C 1.216923 0.189331 -0.180404
C -1.292729 0.464359 0.106269
C -1.675316 -0.864668 -0.229116
C -2.294692 1.408731 0.439158
C -4.035470 -0.271386 0.104022
C -3.035201 -1.218536 -0.228246
C -3.659630 1.052893 0.441609
C -6.434066 0.207582 0.406289
C -7.751430 -0.552966 0.281880
H 5.883763 -1.285288 -0.252065
H 6.029243 -0.464873 1.318116
H 5.039752 0.900576 -1.276744
H 5.133094 1.653129 0.340751
H 7.680856 1.173848 0.293370
H 7.522310 0.353145 -1.273305
H 3.466553 -0.795913 -0.105895
H 2.411715 1.870972 0.564136
H 2.614886 1.488417 -1.171941
H 8.450055 -1.787227 -0.251183
H 8.606893 -0.962826 1.324658
H 9.600314 -0.432117 -0.063581
H 0.208420 1.874624 0.411482
H -0.904985 -1.595770 -0.479871
H -2.012920 2.437315 0.700563
H -3.344976 -2.236551 -0.483565
H -4.405854 1.807743 0.704374
H -6.283213 0.585708 1.438981
H -6.398993 1.068423 -0.293707
H -8.599575 0.113225 0.523608
H -7.885460 -0.932731 -0.745256
H -7.771904 -1.411789 0.974162


