%chk=000036883.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036883

0 1
 O   -5.978400      0.5021000      -1.420500    
 O   -4.072500     -0.5393000      -2.091000    
 N   -2.360200     -0.7922000      8.3800003E-02
 C    2.497100     -2.5599999E-02 -7.8100003E-02
 C    5.053500      0.1533000     -0.1313000    
 C    3.675800       1.648300      -1.607300    
 C    3.702300       2.010600      0.8866000    
 C    3.851300     -0.7943000      1.9300001E-02
 C    2.477600      0.6939000      -1.459600    
 C    2.504200       1.057300       1.041500    
 C    4.981200      0.8479000      -1.498400    
 C    5.007300       1.208400      0.9827000    
 C    3.628200       2.699200     -0.4861000    
 C    1.336800     -0.9506000      6.8300001E-02
 C    1.552200      -2.314900      0.2641000    
 C   3.5500001E-02 -0.4517000      9.3000000E-03
 C   0.4666000      -3.180000      0.4007000    
 C   -1.050400      -1.316800      0.1458000    
 C  -0.8347000      -2.681000      0.3416000    
 C   0.7249000      -4.636400      0.6097000    
 C   -1.996700      -3.612500      0.4883000    
 C   -2.901800      0.4590000      0.4314000    
 C   -4.011900      0.9774000     -0.2418000    
 C   -2.318300       1.193500       1.467800    
 C   -4.534100       2.219700      0.1187000    
 C   -2.840500       2.435600       1.828100    
 C   -4.646900      0.2405000      -1.327200    
 C   -3.948300       2.948700       1.153600    
 H    5.985600     -0.4185000     -5.8100000E-02
 H    3.630300       2.147100      -2.582000    
 H    3.675500       2.766300       1.679800    
 H    3.930200      -1.556100     -0.7686000    
 H    3.948800      -1.300200      0.9898000    
 H    1.553800       1.271600      -1.590300    
 H    2.493200     -4.6399999E-02  -2.271100    
 H    2.538600      0.5787000       2.029600    
 H    1.580700       1.650200       1.021000    
 H    5.842400       1.515300      -1.626200    
 H    5.033800      0.1034000      -2.302200    
 H    5.078900      0.7233000       1.963800    
 H    5.869100       1.881900      0.8975000    
 H    4.463000       3.402200     -0.5971000    
 H    2.705200       3.287000     -0.5617000    
 H    2.537700      -2.760700      0.3207000    
 H  -0.1293000      0.6071000     -0.1686000    
 H   0.4444000      -4.934600       1.625100    
 H   0.1750000      -5.240900     -0.1193000    
 H    1.784800      -4.883100      0.4806000    
 H   -3.033500      -1.429700     -0.3296000    
 H   -1.757500      -4.509800       1.066000    
 H   -2.822900      -3.143800       1.033900    
 H   -2.355600      -3.921200     -0.4989000    
 H   -1.470200      0.8111000       2.029300    
 H   -5.387700       2.653700     -0.3953000    
 H   -2.387700       3.001300       2.637100    
 H   -4.353300       3.916900       1.433400    
 H   -6.398300      2.4000001E-03  -2.152900    


%chk=000036883-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036883

0 1
O -6.143804 0.626755 -1.523890
O -4.630499 -1.119348 -1.472634
N -2.361231 -0.762968 -0.097674
C 2.616719 -0.027653 -0.043825
C 5.171375 0.201904 -0.071865
C 3.776405 1.658038 -1.599938
C 3.765764 2.067257 0.902192
C 3.977338 -0.776820 0.084732
C 2.587336 0.673521 -1.445237
C 2.575127 1.084164 1.060338
C 5.111799 0.879048 -1.467050
C 5.101933 1.288484 1.034128
C 3.698131 2.744697 -0.493392
C 1.405040 -0.969091 0.097023
C 1.534106 -2.363658 0.307687
C 0.094858 -0.445839 -0.020779
C 0.409922 -3.224059 0.393288
C -1.042766 -1.280698 0.085065
C -0.903373 -2.688451 0.289079
C 0.637074 -4.713922 0.601890
C -2.142943 -3.562565 0.379993
C -2.879536 0.454288 0.323095
C -4.176075 0.892385 -0.158142
C -2.200025 1.294297 1.263439
C -4.709114 2.141230 0.276549
C -2.758070 2.510770 1.678358
C -4.947632 0.049537 -1.073975
C -4.013412 2.956402 1.178461
H 6.117594 -0.366887 0.025368
H 3.721738 2.138067 -2.597332
H 3.704690 2.839922 1.694560
H 4.046265 -1.566267 -0.690898
H 4.039547 -1.277588 1.072311
H 1.632298 1.219010 -1.574250
H 2.624676 -0.100163 -2.238275
H 2.602786 0.605178 2.059972
H 1.619188 1.641308 0.995414
H 5.971166 1.567913 -1.593265
H 5.185034 0.112814 -2.265116
H 5.170581 0.817962 2.035847
H 5.959309 1.985006 0.939410
H 4.533351 3.464903 -0.606598
H 2.754855 3.319442 -0.591621
H 2.528599 -2.810499 0.398792
H -0.053329 0.616273 -0.239924
H 0.202462 -5.068050 1.556533
H 0.178962 -5.316919 -0.204655
H 1.715286 -4.946483 0.622661
H -3.024174 -1.323268 -0.662807
H -1.915871 -4.549534 0.812122
H -2.920350 -3.085834 1.004353
H -2.597217 -3.739728 -0.616022
H -1.249032 0.960579 1.685607
H -5.686184 2.442086 -0.111417
H -2.216478 3.120861 2.410667
H -4.434836 3.911847 1.504886
H -6.590563 -0.025061 -2.127541


