%chk=000043068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043068

0 1
 O    5.318200      0.2943000      0.6644000    
 N   -2.866800       1.223100      0.2113000    
 N   -1.541200      0.8777000      0.3333000    
 N  -0.8689000       1.023300     -0.7082000    
 N    4.815000      -1.848100      1.9800000E-02
 C   -4.575400     -0.4979000      0.6369000    
 C   -3.758600      0.6652000       1.190000    
 C   -3.699100      -1.664100      0.1740000    
 C   -4.541900      -2.831400     -0.3158000    
 C   -3.416600       1.717000      -1.046100    
 C   0.4614000      0.6396000     -0.4705000    
 C    3.096700     -0.1210000      2.0000001E-03
 C   0.8485000     -0.6799000     -0.6840000    
 C    1.382500       1.581400     -2.2299999E-02
 C    2.169100      -1.061100     -0.4473000    
 C    2.703300       1.200200      0.2145000    
 C    4.473800     -0.5181000      0.2481000    
 H   -5.209800     -0.1632000     -0.1924000    
 H   -5.254400     -0.8477000       1.424500    
 H   -3.184700      0.3519000       2.070400    
 H   -4.432900       1.465600       1.515800    
 H   -3.062700      -2.001800       1.000200    
 H   -3.036800      -1.352500     -0.6404000    
 H   -5.166900      -2.534900      -1.164200    
 H   -3.897300      -3.654500     -0.6400000    
 H   -5.195100      -3.204900      0.4793000    
 H   -3.537300      0.8858000      -1.745900    
 H   -2.753400       2.475100      -1.472800    
 H   -4.386100       2.187200     -0.8564000    
 H   0.1312000      -1.417800      -1.034000    
 H    1.084600       2.613000      0.1450000    
 H    2.403400      -2.102400     -0.6328000    
 H    3.407200       1.951000      0.5637000    
 H    4.192800      -2.573100     -0.3130000    
 H    5.768500      -2.152100      0.1908000    


%chk=000043068-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043068

0 1
O 5.047141 -0.597552 1.749896
N -2.883593 1.034125 -0.404443
N -1.633150 0.716804 0.014584
N -0.756392 0.633073 -0.972807
N 5.560155 -1.049963 -0.459708
C -4.865987 -0.196312 0.576041
C -3.932614 1.038382 0.631775
C -4.145397 -1.533128 0.860408
C -5.107386 -2.739785 0.817718
C -3.200732 1.246398 -1.827128
C 0.563849 0.320488 -0.525638
C 3.271341 -0.318041 0.112065
C 1.540467 0.200507 -1.551111
C 0.960935 0.131048 0.831748
C 2.875240 -0.114911 -1.236847
C 2.294782 -0.179520 1.135639
C 4.673816 -0.656403 0.535462
H -5.365323 -0.243972 -0.413598
H -5.671269 -0.041864 1.323126
H -3.407131 1.073935 1.601644
H -4.526929 1.967060 0.526016
H -3.656602 -1.478525 1.853724
H -3.330466 -1.678334 0.125270
H -5.584734 -2.833747 -0.176180
H -4.574117 -3.685014 1.025687
H -5.913523 -2.634217 1.568257
H -3.045979 0.320048 -2.411769
H -2.527743 2.012147 -2.251411
H -4.249812 1.571983 -1.908117
H 1.225109 0.365218 -2.586577
H 0.213805 0.232108 1.624173
H 3.603170 -0.168804 -2.055537
H 2.623378 -0.320553 2.170803
H 5.281776 -1.196724 -1.426650
H 6.514216 -1.271056 -0.178613


