%chk=000063378.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063378

0 1
 O  -2.5800001E-02  -2.066100      8.5900001E-02
 N   0.4749000      0.2356000      5.5900000E-02
 N   -1.316200       1.799300     -2.9700000E-02
 C   -1.824500     -0.5902000      4.3099999E-02
 C  -4.8200000E-02   1.530600      3.3100002E-02
 C  -0.3775000     -0.8886000      8.3999999E-02
 C   -2.231000      0.7417000     -3.7000000E-02
 C    1.888700     -1.8300001E-02  6.6999998E-03
 C   -2.767000      -1.625300      5.8300000E-02
 C   -3.599300       1.029700     -0.1016000    
 C   0.8743000       2.727400      0.1437000    
 C    2.522200     -0.1380000      -1.223900    
 C    2.605400     -0.1398000       1.190600    
 C   -4.126800      -1.324700     -5.9000002E-03
 C   -4.543400      1.9000000E-03 -8.6999997E-02
 C    3.894500     -0.3833000      -1.271500    
 C    3.977700     -0.3851000       1.143100    
 C    4.622200     -0.5068000     -8.7899998E-02
 H   -2.463200      -2.666700      0.1171000    
 H   -3.939100       2.061200     -0.1602000    
 H    1.578200       2.732600     -0.6929000    
 H    1.435900       2.674700       1.080600    
 H   0.3038000       3.660500      0.1272000    
 H    1.963200     -4.2700000E-02  -2.150800    
 H    2.111400     -4.5899998E-02   2.153900    
 H   -4.861100      -2.124800      5.5999998E-03
 H   -5.602500      0.2371000     -0.1369000    
 H    4.396400     -0.4779000      -2.229900    
 H    4.544400     -0.4810000       2.064600    
 H    5.690700     -0.6976000     -0.1249000    


%chk=000063378-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063378

0 1
O 0.078735 -2.091947 0.000150
N 0.446932 0.232987 0.001245
N -1.358021 1.830729 0.010668
C -1.850135 -0.605911 0.003491
C -0.062267 1.553890 0.007065
C -0.411030 -0.927215 0.000338
C -2.273469 0.761287 0.007990
C 1.885311 -0.010557 -0.003107
C -2.809973 -1.651996 0.001806
C -3.665357 1.056395 0.010606
C 0.927662 2.693873 0.013892
C 2.573835 -0.100779 -1.232105
C 2.570502 -0.163816 1.221563
C -4.180548 -1.346003 0.004134
C -4.605884 0.013407 0.008621
C 3.967577 -0.330378 -1.233550
C 3.964202 -0.393574 1.214856
C 4.664850 -0.473277 -0.011268
H -2.448861 -2.685705 -0.001637
H -3.968053 2.107802 0.014363
H 1.576303 2.676699 -0.880112
H 1.593781 2.650727 0.894050
H 0.358709 3.633964 0.032375
H 2.019926 -0.006043 -2.172175
H 2.014063 -0.116703 2.163639
H -4.923584 -2.150397 0.002302
H -5.676399 0.246705 0.010861
H 4.505116 -0.404180 -2.184967
H 4.499147 -0.516346 2.162666
H 5.745230 -0.654140 -0.014463


