%chk=000040710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040710

1 1
 O    2.639300      -1.194500     -9.9999997E-05
 N   -2.130100     -0.3281000     -1.9999999E-04
 C  -0.6846000      0.1751000      1.9999999E-04
 C   -2.830800      0.1931000      -1.251700    
 C   -2.825700      0.1759000       1.261300    
 C   -2.210700      -1.853200     -9.8999999E-03
 C   0.2915000     -0.7643000      9.9999997E-05
 C  -0.5029000       1.517500      1.9999999E-04
 C    1.608800     -0.3056000      9.9999997E-05
 C   0.8142000       1.976100      3.0000001E-04
 C    1.870100       1.064700      9.9999997E-05
 C    3.960900     -0.6568000     -3.9999999E-04
 H   -2.259500     -0.1222000      -2.130700    
 H   -3.836200     -0.2392000      -1.282700    
 H   -2.914400       1.282400      -1.207400    
 H   -2.904100       1.266200       1.234100    
 H   -3.832700     -0.2530000       1.288100    
 H   -2.253000     -0.1550000       2.133700    
 H   -1.754600      -2.252300      0.9021000    
 H   -3.271200      -2.130400     -1.2600000E-02
 H   -1.752600      -2.240400     -0.9261000    
 H   0.1548000      -1.836700      3.0000001E-04
 H   -1.305100       2.245200      1.5000000E-03
 H    1.017000       3.043300      7.9999998E-04
 H    2.868100       1.489500      1.9999999E-04
 H    4.161000     -8.0300003E-02  0.9092000    
 H    4.160500     -7.9999998E-02 -0.9099000    
 H    4.654500      -1.504000     -6.0000003E-04


%chk=000040710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040710

1 1
O 2.666345 -1.177355 -0.005716
N -2.165639 -0.346519 -0.000293
C -0.724003 0.176257 0.001000
C -2.891942 0.161913 -1.254738
C -2.891163 0.153383 1.258007
C -2.243622 -1.873193 -0.005443
C 0.353745 -0.719579 -0.002961
C -0.526224 1.578147 0.006335
C 1.680865 -0.205265 -0.001555
C 0.797046 2.066505 0.007616
C 1.905906 1.194116 0.003748
C 4.079540 -0.749766 -0.004539
H -2.350350 -0.198656 -2.141488
H -3.923449 -0.223657 -1.248614
H -2.901580 1.259785 -1.252316
H -2.899615 1.251243 1.263697
H -3.923072 -0.231035 1.249215
H -2.349788 -0.214288 2.141967
H -1.755630 -2.270098 0.896062
H -3.306370 -2.158896 -0.005740
H -1.756738 -2.263938 -0.910231
H 0.251441 -1.806107 -0.007115
H -1.355153 2.291953 0.009542
H 0.964758 3.147742 0.011724
H 2.918726 1.604348 0.004890
H 4.312342 -0.167850 0.905856
H 4.311740 -0.160807 -0.910548
H 4.654384 -1.685383 -0.008361


