%chk=000028792.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028792

0 1
 O   9.4300002E-02 -8.0100000E-02  -1.802400    
 O   0.6470000      -1.832300     -0.4154000    
 N   -3.485300     -0.6517000      -1.133400    
 C   -4.272300     -0.4945000      8.8299997E-02
 C   -4.082400      0.9179000      0.6521000    
 C   -3.861800      -1.558300       1.112600    
 C   -4.830700       1.095200       1.972200    
 C   -4.609800      -1.377900       2.432400    
 C   -4.433400      3.1099999E-02   2.991400    
 C   -2.140200     -0.1071000     -0.9493000    
 C   -4.151400      2.6000000E-03  -2.259200    
 C   -1.192800     -0.6474000      -2.008600    
 C   -5.527200     -0.5933000      -2.504800    
 C    2.290900     -8.7300003E-02 -0.8935000    
 C   0.9339000     -0.7799000     -0.9719000    
 C    2.220100       1.352300     -0.4015000    
 C    3.330300     -0.8997000     -0.1317000    
 C    3.161600       2.285100     -0.8364000    
 C    3.471900     -0.7343000       1.246100    
 C    1.213400       1.738200      0.4838000    
 C    4.140200      -1.809400     -0.8118000    
 C    3.096800       3.603700     -0.3860000    
 C    4.423500      -1.478300       1.943800    
 C    1.148600       3.056900      0.9341000    
 C    5.091600      -2.553300     -0.1140000    
 C    2.090300       3.989500      0.4991000    
 C    5.233200      -2.387700       1.263800    
 H   -5.340100     -0.6667000     -7.5099997E-02
 H   -3.039400       1.156500      0.8867000    
 H   -4.443300       1.681500     -4.5499999E-02
 H   -4.073700      -2.559300      0.7158000    
 H   -2.789000      -1.533500       1.332400    
 H   -5.911000       1.039900       1.789100    
 H   -4.628500       2.091400       2.382200    
 H   -4.251600      -2.112000       3.162900    
 H   -5.677300      -1.578000       2.277600    
 H   -3.386300      0.1787000       3.283200    
 H   -5.037000      0.1460000       3.898700    
 H   -1.703400     -0.3737000      1.8600000E-02
 H   -2.112600      0.9901000      -1.007400    
 H   -3.581500     -0.1701000      -3.178200    
 H   -4.231800       1.089900      -2.146200    
 H   -1.157400      -1.743900      -2.006100    
 H   -1.491800     -0.3457000      -3.016300    
 H   -5.518300      -1.687100      -2.443900    
 H   -6.286800     -0.2006000      -1.822300    
 H   -5.861400     -0.3305000      -3.515300    
 H    2.629800     -4.1200001E-02  -1.940600    
 H    3.951200       1.997000      -1.525400    
 H    2.846800     -5.3300001E-02   1.814200    
 H   0.4758000       1.031500      0.8528000    
 H    4.038900      -1.950400      -1.884500    
 H    3.830200       4.329800     -0.7241000    
 H    4.530600      -1.353400       3.017400    
 H   0.3671000       3.356700       1.626200    
 H    5.721600      -3.262300     -0.6431000    
 H    2.040300       5.015900      0.8506000    
 H    5.973100      -2.968100       1.807300    


%chk=000028792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028792

0 1
O 0.162028 -0.526073 -1.611352
O 0.299160 -0.504689 0.715386
N -3.617195 -0.588342 -1.245550
C -4.366247 -0.460268 0.037182
C -4.709762 1.005836 0.441778
C -3.640683 -1.189131 1.196381
C -5.545870 1.048618 1.744869
C -4.470513 -1.136122 2.502488
C -4.818775 0.318485 2.898937
C -2.266926 0.012795 -1.280089
C -4.408336 -0.401579 -2.486195
C -1.222493 -1.098635 -1.509764
C -5.447390 -1.515092 -2.729469
C 2.218285 0.280108 -0.667995
C 0.812207 -0.273208 -0.405748
C 2.448163 1.657704 -0.024101
C 3.260581 -0.770801 -0.233524
C 3.300570 2.571693 -0.696021
C 3.542137 -1.012657 1.134074
C 1.881087 2.040492 1.218136
C 3.939444 -1.526427 -1.221225
C 3.584685 3.838905 -0.142286
C 4.490080 -1.991391 1.503969
C 2.161896 3.311398 1.770075
C 4.890708 -2.504541 -0.851814
C 3.014318 4.214764 1.096124
C 5.169057 -2.739847 0.513664
H -5.328956 -0.990523 -0.115712
H -3.770455 1.575655 0.599009
H -5.259384 1.506640 -0.379862
H -3.456220 -2.238336 0.896579
H -2.649376 -0.726401 1.378788
H -6.527005 0.560179 1.566836
H -5.759158 2.098585 2.025581
H -3.912898 -1.633363 3.319620
H -5.411259 -1.709234 2.363214
H -3.883709 0.863886 3.143567
H -5.444458 0.327256 3.812771
H -2.033538 0.522317 -0.328473
H -2.175116 0.774132 -2.082424
H -3.694558 -0.405562 -3.331786
H -4.921144 0.592493 -2.515961
H -1.253638 -1.826229 -0.681945
H -1.374811 -1.604350 -2.475985
H -4.955509 -2.503733 -2.716106
H -6.242880 -1.517525 -1.963089
H -5.935073 -1.372968 -3.712017
H 2.300700 0.395775 -1.762158
H 3.748977 2.285406 -1.655554
H 3.021845 -0.436400 1.905715
H 1.213009 1.349476 1.742625
H 3.720885 -1.351180 -2.281938
H 4.245745 4.531125 -0.676026
H 4.700384 -2.170297 2.564511
H 1.713312 3.594474 2.729238
H 5.410910 -3.079563 -1.626224
H 3.230567 5.198641 1.527434
H 5.906094 -3.497276 0.803346


