%chk=000077857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077857

0 1
 O    2.234000      0.1540000     -0.6217000    
 O   0.2601000      -3.623500     -0.7778000    
 O    1.299700     -0.1450000       1.454900    
 O   -1.578000      -3.930700      0.5018000    
 N   0.3283000      -1.027300     -0.4581000    
 C    3.294800      0.9069000     -3.2400001E-02
 C  -0.8127000      -1.661400      0.1607000    
 C   -2.127100      -1.115200     -0.4119000    
 C    4.025500      1.4900000E-02  0.9703000    
 C    4.235600       1.334300      -1.156800    
 C    2.696300       2.129800      0.6614000    
 C   -2.268100      0.3783000     -0.2422000    
 C    1.286100     -0.3238000      0.2415000    
 C  -0.7601000      -3.172600     -9.2000002E-03
 C   -2.868900      0.8782000      0.9023000    
 C   -1.794500       1.222500      -1.234000    
 C   -2.999300       2.258100       1.059100    
 C   -1.924700       2.602400      -1.077200    
 C   -2.527100       3.120100      6.9399998E-02
 H  -0.7676000      -1.471900       1.240200    
 H   -2.205800      -1.365800      -1.479300    
 H   -2.982600      -1.616800      6.0100000E-02
 H    4.202500     -0.9829000      0.5523000    
 H    4.999600      0.4480000       1.227500    
 H    3.505600     -0.1213000       1.921900    
 H    3.701600       1.933800      -1.903000    
 H    4.629600      0.4597000      -1.686900    
 H    5.080200       1.921000     -0.7814000    
 H    2.207100       1.918000       1.615400    
 H    3.479600       2.863200      0.8870000    
 H    1.953100       2.618800      2.0700000E-02
 H   0.4512000      -1.129800      -1.461100    
 H   -3.237200      0.2146000       1.679400    
 H   -1.326300      0.8308000      -2.132500    
 H   -3.467700       2.661400       1.952100    
 H   -1.557100       3.273600      -1.847900    
 H   -2.628200       4.194600      0.1916000    
 H   0.2520000      -4.600800     -0.8617000    


%chk=000077857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077857

0 1
O 2.304164 0.022462 -0.510840
O -0.126119 -3.717433 -1.183230
O 0.991950 -0.014070 1.472296
O -1.594597 -4.054129 0.587605
N 0.401587 -1.191938 -0.468802
C 3.353584 0.976405 0.045169
C -0.819901 -1.762232 0.083493
C -2.129718 -1.146021 -0.541242
C 4.046622 0.325578 1.259084
C 4.315427 1.114343 -1.147663
C 2.686176 2.321721 0.394502
C -2.249161 0.343303 -0.268987
C 1.213310 -0.356593 0.279993
C -0.891273 -3.278134 -0.090946
C -2.730096 0.807466 0.982355
C -1.864077 1.296210 -1.244940
C -2.825541 2.189569 1.251839
C -1.957154 2.681663 -0.979424
C -2.438387 3.132506 0.270756
H -0.819750 -1.547957 1.166865
H -2.119256 -1.344636 -1.629558
H -2.987852 -1.693234 -0.107735
H 4.457855 -0.662292 0.984830
H 4.882994 0.966794 1.592993
H 3.339722 0.201093 2.094148
H 3.788716 1.527075 -2.025318
H 4.735672 0.131527 -1.422816
H 5.147063 1.792154 -0.884544
H 1.979820 2.205998 1.231259
H 3.463176 3.054012 0.681483
H 2.141019 2.720020 -0.479789
H 0.713994 -1.469775 -1.399735
H -3.029639 0.082683 1.750012
H -1.491417 0.952154 -2.217541
H -3.199279 2.531719 2.223408
H -1.657881 3.405884 -1.745707
H -2.512064 4.205874 0.478838
H -0.230189 -4.701569 -1.287611


