%chk=000135915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135915

0 1
 O    3.556800       3.509100     -0.2245000    
 O   0.5002000      -1.662200      0.1391000    
 O   -2.687900       2.126800     -6.3900001E-02
 O    4.926800       1.321100     -9.8999999E-02
 N   -5.769600     -0.7568000      0.1427000    
 N   -1.057400      0.4335000      2.5599999E-02
 C   -4.824500      0.3508000      7.4400000E-02
 C   -3.391800     -0.1726000      9.1499999E-02
 C    1.405100      0.5229000     -8.6000003E-03
 C    2.563700       1.299900     -7.1400002E-02
 C   -7.145800     -0.2589000      0.1863000    
 C   -5.592200      -1.657400     -0.9980000    
 C   0.1485000       1.139800     -3.3799998E-02
 C    2.826100      -1.586400      0.1105000    
 C    3.984700     -0.8094000      4.8000000E-02
 C    1.493900     -0.9486000      8.4299996E-02
 C   -2.362100      0.9465000      7.7000000E-03
 C    3.895900      0.6621000     -4.5200001E-02
 C    2.465800       2.693700     -0.1601000    
 C   5.5399999E-02   2.529000     -0.1219000    
 C   -7.360300      0.6770000       1.357900    
 C   -6.520300      -2.851400     -0.9119000    
 C    1.211600       3.304300     -0.1850000    
 C    2.923900      -2.980200      0.1983000    
 C    5.241300      -1.426200      7.3200002E-02
 C    4.178200      -3.590800      0.2232000    
 C    5.334300      -2.815500      0.1608000    
 H   -4.916100       1.010400      0.9440000    
 H   -4.993000      0.9675000     -0.8187000    
 H   -3.167800     -0.8039000     -0.7737000    
 H   -3.202200     -0.7512000       1.003800    
 H   -7.426200      0.2484000     -0.7455000    
 H   -7.847700      -1.085800      0.3358000    
 H   -5.734500      -1.141100      -1.955600    
 H   -4.593300      -2.099900      -1.005500    
 H  -0.9770000     -0.5770000      9.0599999E-02
 H  -0.8564000       3.103600     -0.1485000    
 H   -6.962600      0.2621000       2.290600    
 H   -6.922200       1.666000       1.191400    
 H   -8.434300      0.8370000       1.507100    
 H   -6.491400      -3.319100      7.8299999E-02
 H   -7.556500      -2.595200      -1.153200    
 H   -6.212000      -3.611400      -1.639200    
 H    1.129900       4.386200     -0.2536000    
 H    2.039100      -3.609200      0.2484000    
 H    6.158600     -0.8456000      2.5900001E-02
 H    4.253500      -4.672300      0.2912000    
 H    6.309600      -3.293500      0.1802000    
 H    4.374900       2.990700     -0.2010000    


%chk=000135915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135915

0 1
O 3.738688 3.500795 0.078818
O 0.350660 -1.616735 0.063293
O -2.697408 2.262335 0.315527
O 5.014397 1.358294 -0.038551
N -5.803531 -0.694147 -0.138640
N -1.062162 0.565295 0.198592
C -4.717746 0.282139 -0.396122
C -3.427575 -0.076941 0.379202
C 1.379047 0.582610 0.090643
C 2.612570 1.326844 0.061034
C -7.159332 -0.083347 -0.217461
C -5.675250 -1.927763 -0.962562
C 0.134993 1.295285 0.166168
C 2.749704 -1.565543 -0.030848
C 3.961032 -0.812985 -0.058530
C 1.424205 -0.892841 0.043032
C -2.382035 1.034580 0.288769
C 3.912236 0.661075 -0.013797
C 2.591492 2.758838 0.104985
C 0.144498 2.733425 0.208109
C -7.499611 0.781977 1.010843
C -6.347126 -3.155598 -0.318129
C 1.342176 3.442502 0.178217
C 2.807583 -2.981206 -0.074235
C 5.209700 -1.480078 -0.128843
C 4.051537 -3.638206 -0.143775
C 5.255505 -2.886690 -0.171334
H -5.037814 1.281606 -0.057993
H -4.486218 0.374048 -1.486144
H -3.007805 -1.042727 0.041923
H -3.708071 -0.203569 1.443136
H -7.279705 0.520801 -1.152523
H -7.893908 -0.906603 -0.281264
H -6.081846 -1.770665 -1.994340
H -4.597212 -2.142966 -1.084458
H -0.895068 -0.467626 0.161720
H -0.815609 3.250294 0.263515
H -7.434785 0.175567 1.930986
H -6.809476 1.638346 1.117962
H -8.524625 1.188617 0.924220
H -5.909854 -3.348617 0.676854
H -7.434697 -3.009929 -0.187909
H -6.203516 -4.051777 -0.950405
H 1.353345 4.535611 0.210116
H 1.865952 -3.537643 -0.051475
H 6.120732 -0.874489 -0.148725
H 4.090452 -4.732108 -0.176541
H 6.220175 -3.401982 -0.225661
H 4.534006 2.818699 0.025599


