%chk=000100841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100841

1 1
 O    4.736400     -0.2039000       2.049700    
 O  -0.2993000      -3.041100     -0.7462000    
 N    2.033100     -0.1188000     -0.5403000    
 C    1.114600      0.8655000      7.7200003E-02
 C    2.969500     -0.7302000      0.5125000    
 C    1.247900      -1.262800      -1.199000    
 C   0.2444000       1.530000     -0.9831000    
 C    2.901600      0.5442000      -1.620000    
 C  -0.7523000       2.576300     -0.4719000    
 C   -1.803700       2.001900      0.4797000    
 C    3.842300      0.3614000       1.100200    
 C   0.4026000      -1.958300     -0.1502000    
 C   -2.691500      0.9769000     -0.2297000    
 C   -3.722800      0.3768000      0.7276000    
 C   -4.587200     -0.6714000      2.7300000E-02
 C   -5.635700      -1.246400      0.9661000    
 H   0.5457000      0.3978000      0.8832000    
 H    1.704600       1.665600      0.5337000    
 H    3.566800      -1.520200      4.2399999E-02
 H    2.379100      -1.165300       1.323000    
 H    1.979500      -1.962000      -1.624600    
 H   0.6561000     -0.8910000      -2.040000    
 H  -0.3104000      0.8059000      -1.581200    
 H   0.8788000       2.072500      -1.694200    
 H    3.751000     -0.1118000      -1.835900    
 H    2.309200      0.6573000      -2.533300    
 H    3.238200       1.525000      -1.272800    
 H  -0.2024000       3.370300      4.7899999E-02
 H   -1.250500       3.048000      -1.327700    
 H   -2.428400       2.824700      0.8484000    
 H   -1.327600       1.554200       1.358400    
 H    3.270200       1.115200       1.644200    
 H    4.466700      0.8569000      0.3538000    
 H  -0.3617000      -1.308900      0.2793000    
 H   0.9883000      -2.402500      0.6552000    
 H   -2.092000      0.1568000     -0.6354000    
 H   -3.203800       1.453300      -1.074200    
 H   -4.360600       1.175200       1.125700    
 H   -3.209800     -8.3499998E-02   1.581000    
 H   -5.088400     -0.2231000     -0.8384000    
 H   -3.955300      -1.484500     -0.3486000    
 H    5.277200      0.5227000       2.403900    
 H  -0.8372000      -3.454400     -4.9199998E-02
 H   -5.166500      -1.730100       1.828900    
 H   -6.305700     -0.4625000       1.333500    
 H   -6.241500      -1.994300      0.4452000    


%chk=000100841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100841

1 1
O 4.153353 -0.428256 2.563120
O -0.006676 -2.937560 -1.673957
N 2.165506 -0.055944 -0.612400
C 1.081932 0.973230 -0.171982
C 2.888154 -0.610697 0.631068
C 1.547031 -1.239795 -1.384273
C 0.163109 1.495556 -1.288211
C 3.174869 0.611104 -1.546937
C -0.828634 2.554456 -0.722572
C -1.826332 2.031284 0.342701
C 3.767112 0.384057 1.411121
C 0.534696 -2.098580 -0.606484
C -2.726338 0.869101 -0.137643
C -3.806789 0.471292 0.894379
C -4.671734 -0.725464 0.437414
C -5.752735 -1.112537 1.469143
H 0.498163 0.478578 0.621107
H 1.632601 1.814039 0.284632
H 3.513602 -1.456037 0.296834
H 2.118651 -0.994554 1.320338
H 2.382566 -1.873621 -1.726463
H 1.040919 -0.828615 -2.271029
H -0.417328 0.673579 -1.743678
H 0.756573 1.971789 -2.091095
H 4.019410 -0.076836 -1.706201
H 2.689837 0.825982 -2.509536
H 3.530545 1.548743 -1.096068
H -0.255685 3.409014 -0.309344
H -1.403144 2.953375 -1.580244
H -2.474210 2.878842 0.639805
H -1.294852 1.731890 1.270553
H 3.198381 1.283251 1.725464
H 4.650977 0.700588 0.821800
H -0.260131 -1.477810 -0.143109
H 1.026904 -2.704652 0.179670
H -2.113274 -0.029771 -0.370229
H -3.217768 1.156644 -1.090002
H -4.463632 1.343420 1.088996
H -3.324679 0.226083 1.864367
H -5.153540 -0.479110 -0.530231
H -4.014721 -1.599357 0.243005
H 4.811019 0.047301 3.129323
H -0.565647 -3.665358 -1.303800
H -5.298658 -1.392273 2.438411
H -6.443903 -0.269594 1.654684
H -6.356000 -1.969377 1.119652


