%chk=000153592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153592

0 1
 O    4.729000       2.663900      3.7900001E-02
 N   -2.947900       1.068200      4.4000000E-03
 N    2.391900      -2.293500      5.2000000E-03
 N   -3.900600      -1.065600     -8.7000001E-03
 C   -3.675900       1.698500       1.111700    
 C   -3.024800       1.746200      -1.297400    
 C   -3.279400       3.167900       1.247900    
 C   -2.621500       3.213000      -1.162800    
 C   -3.424000       3.913500     -7.2999999E-02
 C   -2.772100     -0.3210000     -1.3000000E-03
 C   -1.477400     -0.8432000      5.0000002E-04
 C   0.9481000     -0.5961000      9.3000000E-03
 C   -1.343100      -2.245600     -6.0000001E-03
 C    1.051800      -1.985000      2.7000001E-03
 C  -6.4800002E-02  -2.830400     -4.8000002E-03
 C  -0.3376000     -1.5900001E-02  8.2000000E-03
 C    2.278000     -6.7400001E-02  1.6000001E-02
 C    3.156400      -1.150900      1.3300000E-02
 C   -2.499000      -3.034400     -1.3600000E-02
 C   0.1170000      -4.316400     -1.2700000E-02
 C   -3.733900      -2.404300     -1.4500000E-02
 C    2.815800       1.236800      2.4000000E-02
 C    4.547600     -0.9981000      1.8200001E-02
 C    4.205000       1.405900      2.8999999E-02
 C    5.056200      0.3035000      2.6100000E-02
 C    3.805300       3.750200      4.0500000E-02
 H   -3.451900       1.185700       2.055100    
 H   -4.755600       1.612800      0.9376000    
 H   -4.047300       1.669000      -1.687300    
 H   -2.361200       1.267000      -2.027900    
 H   -2.237100       3.232300       1.585400    
 H   -3.895900       3.647300       2.016400    
 H   -2.767400       3.725600      -2.120100    
 H   -1.552700       3.277800     -0.9229000    
 H   -4.481300       3.958400     -0.3605000    
 H   -3.074800       4.945600      4.1600000E-02
 H  -0.4143000       1.067500      1.9300001E-02
 H    2.774800      -3.228200      1.7000000E-03
 H   -2.473800      -4.118900     -1.8800000E-02
 H  -0.3415000      -4.761900      0.8768000    
 H  -0.3353000      -4.751600     -0.9103000    
 H    1.167400      -4.619700     -1.0800000E-02
 H   -4.651500      -2.983400     -2.0300001E-02
 H    2.107200       2.056200      2.6100000E-02
 H    5.211100      -1.856400      1.5900001E-02
 H    6.133800      0.4498000      3.0300001E-02
 H    4.393400       4.673900      4.7400001E-02
 H    3.192400       3.756500      0.9484000    
 H    3.198600       3.766100     -0.8713000    


%chk=000153592-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153592

0 1
O 4.924443 2.642336 -0.063770
N -3.003341 1.114726 0.154997
N 2.436403 -2.374680 -0.290913
N -3.876039 -1.037129 0.574102
C -4.270942 1.682452 0.677288
C -2.538718 1.818042 -1.073408
C -4.075488 3.177730 1.011629
C -2.281405 3.310251 -0.784938
C -3.556486 3.971534 -0.211176
C -2.793087 -0.273757 0.290070
C -1.447503 -0.832268 0.170013
C 0.976121 -0.610630 -0.006309
C -1.318607 -2.283983 0.131817
C 1.076968 -2.053462 -0.136020
C -0.034181 -2.905504 -0.051785
C -0.279506 -0.015694 0.150529
C 2.334265 -0.078626 -0.075002
C 3.210472 -1.196748 -0.256131
C -2.510022 -3.057904 0.360636
C 0.104272 -4.415569 -0.110768
C -3.709740 -2.404591 0.635137
C 2.860883 1.234247 -0.005958
C 4.606439 -1.028267 -0.370519
C 4.260235 1.399759 -0.118203
C 5.122362 0.279401 -0.299460
C 4.097536 3.832255 0.129843
H -4.568759 1.104090 1.565398
H -5.086298 1.559468 -0.071525
H -3.331403 1.734534 -1.854995
H -1.638779 1.324796 -1.469966
H -3.350979 3.264704 1.844978
H -5.038086 3.596361 1.363931
H -1.967303 3.816340 -1.718273
H -1.451225 3.403010 -0.056414
H -4.340298 3.984530 -0.996900
H -3.359082 5.024660 0.064787
H -0.374283 1.064154 0.297789
H 2.810986 -3.313704 -0.394003
H -2.476572 -4.150543 0.362325
H -0.186400 -4.887011 0.847629
H -0.541351 -4.850696 -0.896161
H 1.138441 -4.733516 -0.329458
H -4.614158 -2.971221 0.885050
H 2.192381 2.088888 0.133235
H 5.280957 -1.879574 -0.510227
H 6.197054 0.467661 -0.380899
H 4.803396 4.675766 0.149740
H 3.543302 3.787740 1.088532
H 3.380325 3.966845 -0.704374


