%chk=000128809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128809

0 1
 O    2.312400     -0.7548000       1.928100    
 O    2.981200       1.721900     -0.9655000    
 O   -1.441700      -3.282300     -0.1657000    
 O   -1.392400       2.064300      4.1000000E-03
 O   -3.838700      0.8328000     -0.3934000    
 O    2.179500       3.732400     -0.1813000    
 O   -6.582800       1.210500     -0.1939000    
 N    4.017700      -2.291800      0.1243000    
 N    1.047800      -1.816900      0.1944000    
 N    4.438300       3.347900     -0.3734000    
 C    3.243300      -1.105800     -0.2478000    
 C    2.016400     -0.7444000      0.5327000    
 C    3.010400      -2.421900     -0.9144000    
 C    1.636100      -2.913000     -0.5692000    
 C    1.231700      0.5647000      0.1779000    
 C  -0.2114000      -1.284700      3.7799999E-02
 C  -0.1876000      4.6700001E-02  6.1299998E-02
 C    1.657800       1.244800      -1.121300    
 C   -1.443600      -2.056400     -0.1497000    
 C   -1.410200      0.8401000     -5.6800000E-02
 C    3.106600      0.3624000       2.296000    
 C   -2.710400      -1.262800     -0.3110000    
 C   -2.684200      8.6499996E-02 -0.2576000    
 C   -3.960100      -2.068700     -0.5162000    
 C    3.115000       2.997900     -0.4806000    
 C   -4.441800       1.054900      0.8658000    
 C   -5.689400       1.895700      0.6754000    
 H    3.827800     -0.3423000     -0.7213000    
 H    3.341000      -2.585200      -1.927200    
 H    3.680700      -2.672300       1.007800    
 H    1.671700      -3.827300      3.1599998E-02
 H    1.069100      -3.109200      -1.485700    
 H    1.242100       1.299800      0.9859000    
 H    1.656400      0.5354000      -1.957600    
 H   0.9732000       2.051600      -1.410300    
 H    2.481200       1.207000       2.596600    
 H    3.826800      0.6665000       1.531400    
 H    3.678500      7.3899999E-02   3.183900    
 H   -4.838200      -1.449500     -0.7218000    
 H   -4.174800      -2.668200      0.3745000    
 H   -3.840100      -2.745400      -1.369100    
 H   -4.723900      9.7000003E-02   1.320600    
 H   -3.754100       1.579700       1.540100    
 H    4.717500       4.260600     -2.9999999E-02
 H    5.177500       2.703300     -0.6327000    
 H   -6.195400       2.071400       1.628700    
 H   -5.450100       2.859800      0.2160000    
 H   -6.110800       1.047600      -1.028600    


%chk=000128809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128809

0 1
O 2.380103 -0.956835 1.809785
O 2.875643 2.029414 -0.862402
O -1.327979 -3.454157 -0.532354
O -1.604207 2.033701 0.045906
O -4.031070 0.452781 -0.168236
O 2.335475 3.452602 0.944820
O -6.419077 1.074338 1.304693
N 4.119610 -2.118838 -0.115040
N 1.039677 -1.838429 0.081118
N 4.459332 3.447068 -0.059736
C 3.179674 -1.010709 -0.555161
C 1.989243 -0.731311 0.393901
C 3.008809 -2.429679 -1.092431
C 1.681640 -3.008884 -0.564640
C 1.129629 0.582642 0.259438
C -0.237155 -1.355901 -0.044562
C -0.285004 0.026770 0.102645
C 1.471441 1.538192 -0.904850
C -1.444889 -2.194739 -0.332257
C -1.521782 0.749598 0.024867
C 3.393424 -0.005581 2.307190
C -2.732117 -1.489837 -0.353345
C -2.772234 -0.113381 -0.143913
C -3.988982 -2.295471 -0.587267
C 3.155310 3.031182 0.092465
C -4.337218 1.872340 0.208830
C -5.861517 1.926167 0.251636
H 3.618178 -0.189142 -1.120475
H 3.340024 -2.720030 -2.092829
H 3.865729 -2.424100 0.848466
H 1.839634 -3.827233 0.161302
H 1.035707 -3.395665 -1.368645
H 1.213233 1.163526 1.194370
H 1.404168 1.039099 -1.885159
H 0.779780 2.396985 -0.863121
H 3.028551 1.038518 2.275283
H 4.337805 -0.085328 1.734293
H 3.566926 -0.296015 3.354466
H -4.586735 -1.875855 -1.415923
H -4.637394 -2.294570 0.309787
H -3.722031 -3.338285 -0.820547
H -3.887533 2.088236 1.192214
H -3.908414 2.554810 -0.542432
H 4.813561 4.171793 0.558292
H 5.040185 3.072579 -0.806168
H -6.179354 2.952794 0.501010
H -6.274321 1.656508 -0.743227
H -6.087476 0.152531 1.150740


