%chk=000103096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103096

0 1
 O    2.647700       1.772000     -0.2935000    
 O   -2.961800       1.669200     -0.5999000    
 O    3.559700       1.639500       1.816000    
 O   -3.183300       1.675700       1.691400    
 N  -0.1678000       2.204000     -0.3619000    
 N   0.5417000      -2.264800       1.389200    
 C   0.6885000       2.847500      0.6072000    
 C   -1.068200       3.036100      -1.161200    
 C  -0.1395000      0.8160000     -0.5538000    
 C    2.076800       3.046100      2.3100000E-02
 C   -2.467800       3.002400     -0.5713000    
 C   0.1859000     -2.8800000E-02  0.5075000    
 C  -0.4380000      0.2791000      -1.806100    
 C   0.2127000      -1.410300      0.3163000    
 C  -0.4111000      -1.102400      -1.997300    
 C  -8.5699998E-02  -1.947000     -0.9361000    
 C    3.374800       1.158400      0.6900000    
 C   -3.282600       1.124800      0.6060000    
 C    3.900600     -0.1226000      0.2464000    
 C   -3.782100     -0.2635000      0.4401000    
 C    4.671200     -0.8981000       1.112800    
 C   -3.582100      -1.202400       1.452300    
 C    3.634000     -0.5766000      -1.045400    
 C   -4.451900     -0.6291000     -0.7276000    
 C    5.175500      -2.127000      0.6874000    
 C   -4.051600      -2.506500       1.296800    
 C    4.138100      -1.805700      -1.470600    
 C   -4.921500      -1.933300     -0.8829000    
 C    4.908900      -2.580900     -0.6042000    
 C   -4.721300      -2.872000      0.1292000    
 H   0.2831000       3.834800      0.8636000    
 H   0.7369000       2.316300       1.561100    
 H  -0.7162000       4.075800      -1.152700    
 H   -1.084600       2.762000      -2.218600    
 H    2.025100       3.614900     -0.9121000    
 H    2.718300       3.614300      0.7065000    
 H   -2.466100       3.444400      0.4317000    
 H   -3.136100       3.613500      -1.187600    
 H   0.3939000      0.3458000       1.504200    
 H  -0.6681000      0.8844000      -2.675100    
 H  -0.6371000      -1.520800      -2.973800    
 H  -6.6699997E-02  -3.021600      -1.098000    
 H   0.7639000      -1.876700       2.296200    
 H   0.5641000      -3.266200       1.249800    
 H    4.890100     -0.5634000       2.123400    
 H   -3.058100     -0.9344000       2.366000    
 H    3.040700     -6.8000001E-03  -1.754900    
 H   -4.631300      8.4200002E-02  -1.527500    
 H    5.775300      -2.731000       1.362000    
 H   -3.894300      -3.237800       2.084200    
 H    3.930200      -2.159800      -2.476000    
 H   -5.444900      -2.217800      -1.791200    
 H    5.301000      -3.538000     -0.9352000    
 H   -5.086800      -3.887500      8.0000004E-03


%chk=000103096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103096

0 1
O 2.598342 1.151426 0.830284
O -3.160691 1.973413 -0.620179
O 4.283424 2.603003 1.529040
O -3.069318 1.708819 1.701688
N -0.279149 1.148818 -0.136208
N 1.472298 -3.436705 -0.031107
C 0.200784 1.462796 1.216985
C -0.707845 2.279056 -0.963849
C -0.276645 -0.177222 -0.645429
C 1.582869 2.125461 1.307832
C -2.041136 2.941678 -0.548388
C 0.585363 -1.163465 -0.091265
C -1.139441 -0.551001 -1.721949
C 0.595906 -2.494608 -0.586436
C -1.106533 -1.871186 -2.215790
C -0.257348 -2.853108 -1.668415
C 3.938662 1.529844 0.973060
C -3.565154 1.389411 0.591158
C 4.866716 0.513283 0.398480
C -4.655521 0.393411 0.395049
C 6.258656 0.684169 0.618117
C -5.167609 -0.264093 1.543972
C 4.397773 -0.591562 -0.360532
C -5.184955 0.094265 -0.887082
C 7.175322 -0.248029 0.090747
C -6.201806 -1.212537 1.411617
C 5.320632 -1.519642 -0.888163
C -6.221159 -0.854212 -1.014091
C 6.707858 -1.352161 -0.662539
C -6.730923 -1.508860 0.132519
H -0.524393 2.145684 1.705859
H 0.191754 0.541231 1.822076
H 0.058557 3.086396 -0.937261
H -0.768266 1.949051 -2.013202
H 1.659783 3.037728 0.687050
H 1.814474 2.405231 2.352620
H -1.994307 3.353031 0.475356
H -2.301928 3.740981 -1.263090
H 1.295439 -0.887555 0.693706
H -1.867047 0.157513 -2.126646
H -1.781627 -2.145545 -3.035438
H -0.254705 -3.876392 -2.061618
H 2.041981 -3.204865 0.777270
H 1.477137 -4.395452 -0.365048
H 6.595735 1.549299 1.198866
H -4.741132 -0.018636 2.522022
H 3.325908 -0.705797 -0.546357
H -4.782155 0.606285 -1.765134
H 8.249046 -0.116041 0.262553
H -6.594724 -1.720320 2.298993
H 4.956952 -2.366984 -1.479267
H -6.630351 -1.085684 -2.003445
H 7.421391 -2.074640 -1.074929
H -7.534797 -2.246584 0.029838


