%chk=000129868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129868

0 1
 O    1.089800     -0.7217000       1.482800    
 O   -1.515200       2.771500      5.0299998E-02
 O    2.972500       2.654200       1.238900    
 O    1.479900      -3.593500       1.107200    
 O    4.386900     -0.9022000      -1.274600    
 N   -3.627500       1.020400      0.2213000    
 N    2.268100       0.000000     -0.8839000    
 N    4.027000      0.9405000      9.3900003E-02
 C  -0.7883000      0.5295000      0.6111000    
 C   -1.311600       1.454900     -0.4950000    
 C   0.7016000      0.6213000       1.008400    
 C   -2.700600      0.8799000     -0.9327000    
 C    1.668500       1.087900     -0.1245000    
 C   -1.744000      0.6048000       1.829700    
 C  -0.3007000       1.630400      -1.637500    
 C  -0.7557000     -0.8826000      0.1417000    
 C    1.050100       2.109700      -1.086600    
 C   -2.589500     -0.5767000      -1.505200    
 C   -3.206800      0.3168000       1.437700    
 C   -1.605400      -1.457900     -0.7825000    
 C   0.2836000      -1.562000      0.7466000    
 C    2.943100       1.678300      0.5003000    
 C   -5.019900      0.7360000     -0.1073000    
 C   -1.423300      -2.816600      -1.039200    
 C   0.4696000      -2.906300      0.5211000    
 C    3.651900     -8.0200002E-02 -0.7452000    
 C  -0.4043000      -3.536500     -0.3769000    
 H   0.7991000       1.298600       1.866500    
 H   -3.096000       1.526300      -1.728200    
 H   -1.683600       1.603900       2.280800    
 H   -1.449100     -9.9600002E-02   2.618700    
 H  -0.6679000       2.385300      -2.344200    
 H  -0.1600000      0.7064000      -2.207700    
 H    1.727200       2.301600      -1.929700    
 H   0.9237000       3.075500     -0.5810000    
 H   -2.251200     -0.4992000      -2.546900    
 H   -3.567600      -1.066600      -1.537300    
 H   -3.352000     -0.7652000       1.329200    
 H   -3.842700      0.6262000       2.276800    
 H   -1.945700       3.312500     -0.6335000    
 H    1.737000     -0.6366000      -1.469900    
 H   -5.674700       1.064200      0.7079000    
 H   -5.207600     -0.3289000     -0.2769000    
 H   -5.333000       1.290800     -0.9984000    
 H   -2.055100      -3.329200      -1.759600    
 H    4.983200       1.129100      0.3722000    
 H  -0.2824000      -4.595300     -0.5951000    
 H    1.976200      -2.980800       1.677500    


%chk=000129868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129868

0 1
O 1.111105 -0.669991 1.513577
O -1.624745 2.809656 -0.068150
O 3.063927 2.678051 1.295445
O 1.555442 -3.659177 1.169515
O 4.357564 -1.028547 -1.315632
N -3.591771 1.061789 0.151128
N 2.246117 0.005578 -0.921087
N 4.049535 0.906777 0.058043
C -0.771559 0.543424 0.571646
C -1.310143 1.463211 -0.570729
C 0.712874 0.712122 1.012678
C -2.677934 0.828783 -1.020343
C 1.705219 1.133180 -0.137422
C -1.738821 0.663609 1.789233
C -0.268209 1.668359 -1.677360
C -0.737864 -0.896634 0.095712
C 1.040604 2.202887 -1.051780
C -2.600502 -0.643411 -1.550005
C -3.188003 0.317227 1.382150
C -1.603669 -1.523183 -0.804996
C 0.312396 -1.559030 0.739703
C 2.999873 1.701076 0.512507
C -5.028874 0.929450 -0.159930
C -1.399634 -2.917333 -1.005898
C 0.523696 -2.936773 0.557539
C 3.617610 -0.159414 -0.799126
C -0.367377 -3.607392 -0.323981
H 0.841665 1.400218 1.863478
H -3.076766 1.462237 -1.837739
H -1.687089 1.698078 2.175505
H -1.412697 -0.018609 2.595313
H -0.665283 2.410100 -2.392777
H -0.083566 0.730815 -2.236346
H 1.764885 2.484721 -1.837050
H 0.816284 3.103279 -0.452405
H -2.316063 -0.605282 -2.621656
H -3.616978 -1.085401 -1.531832
H -3.292040 -0.783207 1.241782
H -3.880667 0.608726 2.193268
H -2.571217 2.700971 0.274219
H 1.679277 -0.667337 -1.433751
H -5.624427 1.302051 0.692564
H -5.347823 -0.119991 -0.361837
H -5.275083 1.541426 -1.045505
H -2.035595 -3.473204 -1.704365
H 5.028808 1.031214 0.314818
H -0.208659 -4.677988 -0.487030
H 2.153776 -3.048211 1.670010


