%chk=000100913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100913

0 1
 O    4.157500     -0.2085000       1.540400    
 O   -4.020000     -0.2726000      -1.705000    
 N    3.543400       1.201300     -0.1978000    
 N   -3.485200       1.004300      0.1577000    
 N    5.653300      -2.868900      -1.513500    
 N   -5.649200      -2.906200       1.446800    
 C   0.7015000       2.335700     -0.1617000    
 C  -0.7642000       2.234400      0.2679000    
 C    1.686100       2.281600       1.012100    
 C   -1.700900       2.301100     -0.9432000    
 C    3.159500       2.320700      0.6169000    
 C   -3.172200       2.215700     -0.5493000    
 C    4.017700      1.1900000E-02  0.3422000    
 C   -3.889200     -0.1561000     -0.4913000    
 C    4.349900     -0.9912000     -0.7133000    
 C   -4.156400      -1.270700      0.4662000    
 C    5.308600      -1.928000     -0.5831000    
 C   -5.349300      -1.883200      0.5906000    
 C    6.106900      -1.987100      0.6949000    
 C   -6.497800      -1.434200     -0.2774000    
 H   0.8567000       3.271600     -0.7127000    
 H   0.9200000       1.518200     -0.8593000    
 H   -1.000400       3.050200      0.9616000    
 H  -0.9110000       1.293400      0.8106000    
 H    1.495300       1.368700       1.590700    
 H    1.482900       3.125900       1.682200    
 H   -1.459300       1.482100      -1.632100    
 H   -1.533500       3.238600      -1.486700    
 H    3.373000       3.229000      4.3699998E-02
 H    3.781600       2.339400       1.518500    
 H   -3.797900       2.282700      -1.446100    
 H   -3.438100       3.051600      0.1066000    
 H    3.459500       1.298800      -1.205700    
 H   -3.403800       1.009400       1.170600    
 H    3.786400     -0.9260000      -1.640700    
 H   -3.326000      -1.551300       1.108500    
 H    6.459700     -0.9989000       1.008600    
 H    7.012000      -2.593600      0.5688000    
 H    5.522600      -2.448800       1.497800    
 H   -6.596300      -2.096700      -1.143900    
 H   -7.439000      -1.473800      0.2844000    
 H   -6.409100     -0.4037000     -0.6331000    
 H    5.163700      -2.899400      -2.399200    
 H    6.381700      -3.543100      -1.315700    
 H   -4.933900      -3.270000       2.064000    
 H   -6.578000      -3.308600       1.453600    


%chk=000100913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100913

0 1
O 4.674491 0.212565 1.355561
O -4.703337 0.399497 -1.296286
N 3.595204 1.232061 -0.432337
N -3.643635 1.372503 0.528584
N 5.376531 -3.110898 -1.492872
N -5.480476 -2.972302 1.477010
C 0.710677 2.466658 -0.221265
C -0.730727 2.472063 0.336901
C 1.787941 2.411978 0.884165
C -1.810141 2.536746 -0.765556
C 3.241499 2.424096 0.349875
C -3.260726 2.575006 -0.223542
C 4.298778 0.158435 0.130200
C -4.348747 0.317713 -0.066223
C 4.538144 -0.954609 -0.805790
C -4.614601 -0.810252 0.844593
C 5.216210 -2.126942 -0.521680
C -5.294831 -1.972506 0.526615
C 5.838483 -2.464023 0.818614
C -5.892985 -2.281847 -0.831146
H 0.865245 3.374631 -0.842844
H 0.826987 1.594932 -0.898550
H -0.851610 3.336606 1.024739
H -0.879841 1.557392 0.947319
H 1.650446 1.503768 1.502572
H 1.662923 3.283060 1.560809
H -1.712618 1.665743 -1.442450
H -1.649942 3.444188 -1.384336
H 3.405043 3.326151 -0.273630
H 3.945305 2.455529 1.199884
H -3.966444 2.651370 -1.069117
H -3.395716 3.462355 0.426949
H 3.284243 1.166147 -1.401759
H -3.346839 1.282805 1.500521
H 4.137711 -0.832435 -1.823894
H -4.233005 -0.709411 1.872234
H 5.660719 -1.638539 1.523719
H 6.928769 -2.621615 0.708031
H 5.398537 -3.395317 1.224807
H -5.452185 -3.209601 -1.244439
H -6.986342 -2.432780 -0.744372
H -5.695414 -1.445959 -1.518478
H 5.000642 -2.993740 -2.431311
H 5.878310 -3.968202 -1.277934
H -5.122034 -2.874204 2.424421
H -5.981841 -3.823117 1.236789


