%chk=000035455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035455

0 1
 O  -0.1821000       3.194600     -1.7200001E-02
 O    2.044600     -0.3821000      -2.139400    
 N  -0.6451000      0.8716000     -0.2616000    
 N   7.9400003E-02 -0.2170000     -0.8054000    
 C    1.269300       1.731400      -1.271100    
 C   8.1000000E-02   2.064000     -0.3997000    
 C    1.199400      0.2424000      -1.515500    
 C    2.570500       2.123600     -0.5948000    
 C   -2.049500      0.8542000     -4.3000001E-03
 C  -3.1800002E-02  -1.564900     -0.3471000    
 C    2.692900       1.493600      0.7626000    
 C    3.681300      0.7006000       1.218200    
 C   -2.643100       1.894500      0.7141000    
 C   0.5831000      -2.599600      -1.055900    
 C   -2.834700     -0.2025000     -0.4706000    
 C  -0.7555000      -1.854200      0.8122000    
 C   -4.015100       1.877900      0.9653000    
 C   0.4748000      -3.916200     -0.6082000    
 C   -4.206600     -0.2188000     -0.2194000    
 C  -0.8636000      -3.171000       1.259800    
 C    3.743500      0.1001000       2.593900    
 C    4.852400      0.3582000      0.3360000    
 C   -4.796800      0.8214000      0.4985000    
 C  -0.2484000      -4.201800      0.5496000    
 H    1.148800       2.242600      -2.232700    
 H    3.412700       1.895100      -1.252500    
 H    2.588900       3.211800     -0.4522000    
 H    1.899100       1.731200       1.469500    
 H   -2.077700       2.713800       1.142000    
 H    1.113900      -2.443300      -1.987600    
 H   -2.444800     -0.9936000      -1.102200    
 H   -1.181700      -1.087400       1.450100    
 H   -4.473800       2.682200       1.533100    
 H   0.9446000      -4.720800      -1.166400    
 H   -4.819000      -1.032200     -0.5979000    
 H   -1.411000      -3.392100       2.171600    
 H    2.887100      0.4036000       3.205000    
 H    3.740300     -0.9931000       2.534800    
 H    4.653600      0.4222000       3.109900    
 H    4.597500      0.2932000     -0.7243000    
 H    5.251400     -0.6278000      0.6015000    
 H    5.654600       1.090500      0.4704000    
 H   -5.865300      0.8093000      0.6926000    
 H  -0.3311000      -5.226700      0.8992000    


%chk=000035455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035455

0 1
O -0.347685 3.264553 -0.107733
O 2.141496 -0.402047 -2.078607
N -0.623967 0.913421 -0.272111
N 0.113858 -0.180878 -0.868276
C 1.320533 1.822345 -1.287157
C 0.062463 2.136547 -0.479407
C 1.278277 0.311807 -1.509943
C 2.651278 2.264240 -0.592324
C -2.039390 0.794988 -0.040558
C -0.022293 -1.517011 -0.349688
C 2.808796 1.708928 0.809419
C 3.674346 0.738885 1.226152
C -2.644262 1.639334 0.924408
C 0.307451 -2.608367 -1.191539
C -2.821767 -0.126749 -0.780681
C -0.446294 -1.738899 0.984413
C -4.037354 1.559325 1.135797
C 0.219190 -3.922768 -0.684857
C -4.210268 -0.204376 -0.545063
C -0.544441 -3.059796 1.469316
C 3.708769 0.313480 2.685981
C 4.657535 0.007123 0.329787
C -4.825907 0.636787 0.410262
C -0.211217 -4.156841 0.641423
H 1.244193 2.355184 -2.254901
H 3.482221 1.960080 -1.251364
H 2.637374 3.370293 -0.555380
H 2.145915 2.163091 1.562029
H -2.034613 2.356353 1.477933
H 0.644061 -2.423722 -2.213926
H -2.353462 -0.770683 -1.530041
H -0.691926 -0.893032 1.632348
H -4.504017 2.218498 1.875744
H 0.481872 -4.764910 -1.334175
H -4.811211 -0.921191 -1.115091
H -0.877496 -3.229497 2.499018
H 3.007280 0.899968 3.304400
H 3.448703 -0.758874 2.788539
H 4.725716 0.434173 3.109283
H 4.523733 0.229075 -0.740069
H 4.543117 -1.087205 0.453320
H 5.699891 0.253074 0.615665
H -5.904905 0.573762 0.586888
H -0.287595 -5.179966 1.024666


