%chk=000178831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178831

0 1
 O    3.838300       1.680400      1.5000000E-03
 O    3.653500      -1.855200      6.9999998E-04
 N    3.159600      0.4328000      1.9999999E-04
 N    1.213800     -0.9117000     -1.6000000E-03
 C  -0.9565000      0.1480000     -6.0000003E-04
 C   -2.396800      1.2900000E-02 -3.0000001E-04
 C  -0.3566000       1.400800      7.9999998E-04
 C    1.763700      0.3234000      9.9999997E-05
 C    1.030400       1.499000      1.2000001E-03
 C  -0.1370000     -0.9675000     -1.7000000E-03
 C   -3.090700     -5.3900000E-02   1.207900    
 C   -3.091800     -5.0500002E-02  -1.208100    
 C   -4.479700     -0.1840000       1.208400    
 C   -4.480600     -0.1808000      -1.207600    
 C   -5.174800     -0.2473000      6.0000003E-04
 C    4.011600     -0.6774000     -8.9999998E-04
 C    5.493500     -0.3690000     -5.0000002E-04
 H  -0.9541000       2.309000      1.7000000E-03
 H    1.490200       2.481400      2.0999999E-03
 H  -0.5443000      -1.974500     -2.7999999E-03
 H   -2.564600     -6.0000001E-03   2.158500    
 H   -2.566500       0.000000      -2.159000    
 H   -5.020000     -0.2359000       2.149100    
 H   -5.021800     -0.2302000      -2.148000    
 H   -6.256100     -0.3485000      8.9999998E-04
 H    5.757600      0.2127000     -0.8880000    
 H    5.762500      0.1825000      0.9046000    
 H    6.062600      -1.303400     -1.8500000E-02
 H    3.872900       1.854400      0.9581000    


%chk=000178831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178831

0 1
O 3.681554 -1.274606 0.666016
O 3.961636 2.025673 -0.763097
N 3.263076 -0.002129 0.113585
N 1.223624 -0.969861 0.524956
C -0.937670 0.059704 0.046194
C -2.421799 -0.023482 0.061863
C -0.245347 1.207850 -0.445138
C 1.859755 0.143134 0.041696
C 1.157382 1.272562 -0.454596
C -0.132913 -1.004898 0.527663
C -3.214546 1.139246 0.272137
C -3.087473 -1.265983 -0.133260
C -4.623082 1.062222 0.288586
C -4.495840 -1.344252 -0.111191
C -5.271396 -0.180341 0.098634
C 4.268697 0.897125 -0.271511
C 5.683922 0.406959 -0.052601
H -0.815489 2.050948 -0.849365
H 1.711469 2.132155 -0.832065
H -0.586330 -1.905661 0.953135
H -2.726229 2.103313 0.455346
H -2.500956 -2.169829 -0.334619
H -5.214405 1.968589 0.459238
H -4.988554 -2.309824 -0.270159
H -6.365072 -0.240386 0.112549
H 5.857521 0.177011 1.013140
H 5.863207 -0.529607 -0.609093
H 6.379208 1.188736 -0.391060
H 2.734350 -1.672868 0.841816


