%chk=000014708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014708

0 1
 O   -5.436800       1.245400     -0.3762000    
 O    5.879300       1.022200      0.3321000    
 N    4.720100       1.810700      0.3719000    
 N    5.572800     -0.3372000      0.1742000    
 C   -2.401700     -0.6997000      0.3135000    
 C   -3.049300      0.5778000     -0.2633000    
 C  -0.9803000     -0.9475000     -0.2123000    
 C  -8.5699998E-02  0.2775000      0.1551000    
 C    1.405100      8.9400001E-02 -0.3134000    
 C   -4.480000      0.4784000      0.3514000    
 C   -2.187200       1.776000      0.1684000    
 C  -0.7242000       1.621600     -0.2856000    
 C    1.937600      -1.271800      0.2943000    
 C   -3.460900      -1.772100      7.9599999E-02
 C  -0.3957000      -2.245600      0.3616000    
 C   -4.802700      -1.037200      0.2550000    
 C    1.050300      -2.468600     -6.7699999E-02
 C    2.285200       1.274400      0.2331000    
 C   -3.143500      0.5705000      -1.817700    
 C    1.507500      8.5900001E-02  -1.861500    
 C    3.419400      -1.576400     -5.6699999E-02
 C   -4.601300      0.9560000       1.804300    
 C    3.728900      0.9325000      0.2364000    
 C    4.243200     -0.3620000      0.1238000    
 H   -2.308400     -0.5905000       1.404700    
 H   -1.018400      -1.063900      -1.300400    
 H  -5.8300000E-02  0.3168000       1.256000    
 H   -2.182700       1.877300       1.260100    
 H   -2.600700       2.710500     -0.2294000    
 H  -0.6711000       1.737900      -1.371800    
 H  -0.1562000       2.458100      0.1371000    
 H    1.893900      -1.163300       1.390100    
 H   -3.368200      -2.599300      0.7909000    
 H   -3.387900      -2.195400     -0.9285000    
 H  -0.9942000      -3.104700      3.6699999E-02
 H  -0.4453000      -2.224000       1.457800    
 H   -5.462100      -1.254700     -0.5936000    
 H   -5.318800      -1.398400       1.152000    
 H    1.429000      -3.371700      0.4267000    
 H    1.089800      -2.666800      -1.145100    
 H    1.993500       1.503200       1.266300    
 H    2.119900       2.182600     -0.3588000    
 H   -2.174900      0.4536000      -2.309500    
 H   -3.785400     -0.2338000      -2.191400    
 H   -3.569500       1.514100      -2.178500    
 H    2.534200     -7.2400004E-02  -2.206100    
 H   0.8953000     -0.6949000      -2.319700    
 H    1.188400       1.043000      -2.286100    
 H    3.505100      -1.925100      -1.092600    
 H    3.789100      -2.383400      0.5873000    
 H   -5.619200      0.7930000       2.179100    
 H   -3.913200      0.4437000       2.482100    
 H   -4.427900       2.035400       1.877800    
 H   -6.321900       1.011200     -4.8300002E-02


%chk=000014708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014708

0 1
O -5.397667 1.344961 -0.468984
O 5.942345 1.119670 0.211474
N 4.711292 1.898330 0.278363
N 5.631651 -0.298997 0.083853
C -2.413645 -0.724049 0.311386
C -3.054212 0.580634 -0.255588
C -0.980984 -0.977252 -0.204040
C -0.081601 0.249494 0.166560
C 1.412590 0.070550 -0.308313
C -4.503377 0.486923 0.346482
C -2.185691 1.777206 0.196671
C -0.714233 1.605390 -0.267989
C 1.962911 -1.271267 0.316355
C -3.496456 -1.812591 0.079695
C -0.390972 -2.275901 0.394578
C -4.855116 -1.039264 0.190530
C 1.076342 -2.491712 -0.023567
C 2.255258 1.264320 0.261441
C -3.167812 0.563097 -1.806496
C 1.539220 0.063446 -1.855914
C 3.438519 -1.575234 -0.070931
C -4.623764 0.943326 1.816947
C 3.731071 0.983041 0.195564
C 4.289481 -0.346641 0.076449
H -2.317058 -0.583778 1.412332
H -1.015309 -1.088128 -1.307793
H -0.045448 0.263078 1.283344
H -2.198204 1.852773 1.302603
H -2.593690 2.727585 -0.199170
H -0.664897 1.711410 -1.367465
H -0.122430 2.441581 0.150379
H 1.927271 -1.133243 1.420644
H -3.423044 -2.632157 0.816343
H -3.382112 -2.266707 -0.923145
H -1.002760 -3.145010 0.085201
H -0.454311 -2.220339 1.502711
H -5.461216 -1.169044 -0.724124
H -5.460498 -1.398124 1.043863
H 1.486779 -3.389431 0.481247
H 1.128562 -2.697505 -1.112095
H 1.973209 1.435326 1.320745
H 2.031875 2.199303 -0.281409
H -2.179200 0.511421 -2.293138
H -3.762893 -0.293105 -2.168457
H -3.677649 1.478589 -2.148025
H 2.595876 0.007589 -2.174911
H 1.006468 -0.787542 -2.314063
H 1.125012 0.990002 -2.291083
H 3.486365 -1.931312 -1.119065
H 3.832300 -2.396905 0.554783
H -5.654583 0.764887 2.182554
H -3.942738 0.387100 2.485846
H -4.410087 2.021812 1.915104
H -6.296745 1.340694 -0.053079


