%chk=000048615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048615

0 1
 O    5.058900      3.7900001E-02  0.2564000    
 O   -4.956400     -0.2809000     -8.4399998E-02
 O    5.661100       1.595800       1.840500    
 O   -5.646200       1.108800      -1.785000    
 N    1.505100     -0.9327000      0.3444000    
 N   -1.349900      -1.037000     -9.9500000E-02
 C   0.7691000      0.2327000     -0.1611000    
 C   0.8424000      -2.176100     -6.7800000E-02
 C  -0.6878000      0.2065000      0.3135000    
 C  -0.6143000      -2.201700      0.4080000    
 C    2.893200     -0.9082000     -0.1124000    
 C   -2.738500      -1.061600      0.3553000    
 C    3.716300      5.9200000E-02  0.7231000    
 C   -3.615800     -0.2144000     -0.5526000    
 C    5.931200      0.8571000      0.9063000    
 C   -5.874300      0.4304000     -0.7956000    
 C    7.292700      0.7434000      0.3253000    
 C   -7.228700      0.2796000     -0.2061000    
 C    7.709100     -0.4581000     -0.2482000    
 C   -8.318400      0.9304000     -0.7845000    
 C    8.155600       1.839000      0.3529000    
 C   -7.411000     -0.5136000      0.9267000    
 C    8.988300     -0.5637000     -0.7943000    
 C   -9.590400      0.7877000     -0.2302000    
 C    9.434800       1.733400     -0.1931000    
 C   -8.682900     -0.6563000       1.481100    
 C    9.851000      0.5320000     -0.7667000    
 C   -9.772700     -5.5000000E-03  0.9025000    
 C    9.434500      -1.848300      -1.406900    
 C   -10.75600       1.484100     -0.8479000    
 H   0.7951000      0.2672000      -1.259000    
 H    1.215000       1.164200      0.2033000    
 H    1.359300      -3.037700      0.3723000    
 H   0.8784000      -2.294600      -1.159300    
 H  -0.7187000      0.3237000       1.405400    
 H   -1.188700       1.078400     -0.1205000    
 H   -1.076900      -3.124900      3.8300000E-02
 H  -0.6459000      -2.235900       1.505600    
 H    2.977700     -0.6741000      -1.181900    
 H    3.352300      -1.899700      3.8999999E-03
 H   -2.841300     -0.7501000       1.403200    
 H   -3.136100      -2.085200      0.3174000    
 H    3.695100     -0.2399000       1.778500    
 H    3.337500       1.083000      0.6369000    
 H   -3.300300      0.8341000     -0.5470000    
 H   -3.572400     -0.5933000      -1.581300    
 H    7.053600      -1.325600     -0.2652000    
 H   -8.184700       1.552200      -1.666600    
 H    7.845300       2.782900      0.7935000    
 H   -6.591400      -1.038000       1.409500    
 H    10.10650       2.586500     -0.1718000    
 H   -8.825300      -1.273500       2.363400    
 H    10.85080      0.4622000      -1.187000    
 H   -10.75820     -0.1231000       1.345100    
 H    8.600600      -2.357800      -1.901700    
 H    9.844400      -2.509200     -0.6368000    
 H    10.20370      -1.680100      -2.168300    
 H   -10.84440       2.497900     -0.4450000    
 H   -10.64580       1.545600      -1.936000    
 H   -11.69000      0.9469000     -0.6507000    


%chk=000048615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048615

0 1
O 5.155432 -0.038274 0.339582
O -5.031832 -0.409510 0.005224
O 5.676896 1.843823 1.609953
O -5.684536 0.760519 -1.899961
N 1.527086 -0.960953 0.428950
N -1.357988 -1.104540 0.145737
C 0.747761 0.181025 -0.115095
C 0.843800 -2.241718 0.117733
C -0.678005 0.177528 0.459058
C -0.581157 -2.242743 0.695679
C 2.947084 -0.952799 0.006534
C -2.785096 -1.119582 0.542628
C 3.754211 0.054603 0.834450
C -3.639709 -0.424420 -0.524472
C 6.039000 0.937278 0.818608
C -5.981519 0.230769 -0.799564
C 7.419232 0.763102 0.280614
C -7.344581 0.204279 -0.194578
C 7.756126 -0.296328 -0.601316
C -8.401593 0.813495 -0.918151
C 8.407424 1.700349 0.675380
C -7.600871 -0.404034 1.060877
C 9.073943 -0.437304 -1.096265
C -9.720402 0.831848 -0.407936
C 9.721915 1.570708 0.183686
C -8.913486 -0.393776 1.576251
C 10.050840 0.512697 -0.694205
C -9.961628 0.216051 0.849257
C 9.444472 -1.585023 -2.019827
C -10.843800 1.511003 -1.171932
H 0.687747 0.133800 -1.231682
H 1.244205 1.128518 0.160974
H 1.421042 -3.070364 0.568262
H 0.780480 -2.418196 -0.985580
H -0.622919 0.346081 1.564030
H -1.247516 1.013466 0.014638
H -1.086678 -3.186130 0.417925
H -0.513813 -2.197274 1.811839
H 3.071972 -0.723333 -1.080048
H 3.369491 -1.959972 0.176828
H -2.961686 -0.634474 1.533045
H -3.118588 -2.169430 0.632389
H 3.729522 -0.200173 1.908153
H 3.404427 1.094989 0.714674
H -3.322022 0.616305 -0.715162
H -3.616488 -0.973480 -1.481275
H 6.977297 -1.006752 -0.895306
H -8.169053 1.271150 -1.886675
H 8.125224 2.510526 1.355407
H -6.780135 -0.873079 1.610008
H 10.490055 2.293267 0.479901
H -9.123609 -0.863647 2.543363
H 11.076164 0.421360 -1.074056
H -10.979244 0.214076 1.259289
H 8.550914 -2.032982 -2.487306
H 9.966553 -2.388457 -1.464990
H 10.122057 -1.252497 -2.826648
H -10.962030 2.563618 -0.849227
H -10.645672 1.520998 -2.257619
H -11.811514 1.006011 -1.004151


