%chk=000096537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096537

0 1
 O    1.322400      0.3624000      -1.885200    
 O   -1.324500     -0.3531000      -1.887300    
 N    3.541200     -3.4699999E-02 -0.5190000    
 N   -3.541300      3.7599999E-02 -0.5191000    
 N    4.150600      -4.843700     -0.6502000    
 N    7.489000       2.713200      -1.135000    
 N   -4.139900       4.848600     -0.6275000    
 N   -7.495300      -2.698500      -1.147600    
 C    1.345600      0.3597000      0.5079000    
 C   -1.346800     -0.3666000      0.5060000    
 C   0.6829000      0.1772000       1.732400    
 C  -0.6836000     -0.1914000       1.731500    
 C    2.792500      0.7518000      0.4580000    
 C   -2.794400     -0.7552000      0.4543000    
 C   0.6710000      0.1815000     -0.7002000    
 C  -0.6726000     -0.1810000     -0.7011000    
 C    3.480100      -1.458100     -0.1868000    
 C    4.932000      0.4150000     -0.5818000    
 C   -3.477100       1.459400     -0.1801000    
 C   -4.933200     -0.4086000     -0.5839000    
 C    1.346000      0.3525000       2.957900    
 C   -1.346700     -0.3739000       2.955900    
 C   0.6715000      0.1671000       4.165000    
 C  -0.6722000     -0.1955000       4.164100    
 C    4.263500      -2.276600      -1.210000    
 C    4.997300       1.884300     -0.9909000    
 C   -4.258700       2.284400      -1.199500    
 C   -5.001900      -1.875900     -0.9998000    
 C    4.199800      -3.710800     -0.8962000    
 C    6.390000       2.346400      -1.071000    
 C   -4.191700       3.716900     -0.8788000    
 C   -6.395500      -2.334400      -1.081900    
 H    3.317700      0.6805000       1.410000    
 H    2.759500       1.816000      0.2025000    
 H   -2.760500      -1.815300      0.1836000    
 H   -3.320400     -0.6941000       1.406600    
 H    3.881600      -1.643700      0.8197000    
 H    2.451800      -1.837700     -0.1859000    
 H    5.453400      0.2564000      0.3721000    
 H    5.496600     -0.1129000      -1.355500    
 H   -3.878500       1.640800      0.8273000    
 H   -2.448200       1.837000     -0.1770000    
 H   -5.454100     -0.2533000      0.3708000    
 H   -5.496700      0.1243000      -1.355000    
 H    2.383300      0.6489000       3.051100    
 H   -2.384000     -0.6709000       3.047400    
 H    1.194200      0.3084000       5.106700    
 H   -1.194700     -0.3421000       5.105000    
 H    3.875200      -2.102300      -2.220400    
 H    5.330400      -2.037200      -1.214900    
 H    4.502200       2.036500      -1.957300    
 H    4.515000       2.544200     -0.2645000    
 H   -3.870700       2.114000      -2.210700    
 H   -5.326200       2.047500      -1.205500    
 H   -4.506700      -2.024700      -1.966800    
 H   -4.521100      -2.540000     -0.2762000    
 H    2.173800      0.8072000      -1.754300    
 H  -0.6981000     -0.1790000      -2.611200    


%chk=000096537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096537

0 1
O 1.434096 -0.548295 -1.649018
O -1.119878 -1.273179 -1.614891
N 3.616929 -0.187373 -0.420468
N -3.714056 -0.001577 -0.037204
N 4.901417 -4.946158 -0.047480
N 6.500979 2.922716 -2.947181
N -4.525518 4.688579 1.230095
N -6.315890 -2.094826 -3.657479
C 1.393430 0.157228 0.714769
C -1.401389 -0.622873 0.717349
C 0.616783 0.290197 1.923962
C -0.785731 -0.111205 1.925146
C 2.841800 0.620572 0.606737
C -2.862810 -1.036474 0.613435
C 0.771891 -0.359036 -0.429827
C -0.607528 -0.746061 -0.424337
C 3.980067 -1.538623 0.126339
C 4.801782 0.563802 -0.938537
C -3.987187 1.207091 0.754767
C -4.842560 -0.545104 -0.813855
C 1.180288 0.819027 3.133810
C -1.523516 0.018979 3.150479
C 0.426521 0.934709 4.304406
C -0.938813 0.524608 4.313858
C 4.149776 -2.579623 -1.014467
C 4.393821 1.545680 -2.072470
C -4.053008 2.465878 -0.163525
C -4.396940 -0.866203 -2.275384
C 4.564686 -3.890025 -0.487586
C 5.552462 2.311499 -2.560833
C -4.317234 3.700284 0.594017
C -5.444846 -1.548126 -3.050835
H 3.366941 0.569688 1.580897
H 2.874014 1.678412 0.279254
H -2.914153 -1.936491 -0.024277
H -3.266116 -1.332377 1.607600
H 4.904045 -1.479042 0.737102
H 3.159100 -1.863337 0.787963
H 5.302642 1.118320 -0.117921
H 5.534876 -0.157463 -1.338100
H -4.930454 1.138373 1.346968
H -3.163375 1.352643 1.472886
H -5.263312 -1.466377 -0.351966
H -5.664411 0.193369 -0.841502
H 2.224278 1.148879 3.150416
H -2.571842 -0.292811 3.181607
H 0.882171 1.340629 5.213786
H -1.529046 0.610256 5.232128
H 3.192475 -2.690341 -1.557648
H 4.907454 -2.244308 -1.748503
H 3.947906 0.983815 -2.914313
H 3.622533 2.255739 -1.719394
H -3.091837 2.556697 -0.701695
H -4.844331 2.343842 -0.927547
H -4.115510 0.076192 -2.780606
H -3.480595 -1.484225 -2.249147
H 2.473645 -0.406928 -1.397314
H -0.372124 -1.280738 -2.276768


