%chk=000037920.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037920

0 1
 O    3.390500       2.699900      0.2451000    
 N    1.973100      -2.598700      0.2720000    
 N   -3.195300      7.9800002E-02 -0.3013000    
 C   0.3720000      -1.223800     -0.4161000    
 C    1.519300     -0.4455000     -9.5399998E-02
 C  -0.9258000     -0.7213000     -0.9149000    
 C    2.509300      -1.332200      0.3336000    
 C   0.6820000      -2.543400     -0.1799000    
 C    1.811500      0.9325000     -0.1289000    
 C   -1.913500     -0.3865000      0.2168000    
 C    3.782000     -0.9081000      0.7320000    
 C    3.080200       1.371300      0.2667000    
 C  -0.1219000      -3.770700     -0.3379000    
 C    4.048900      0.4634000      0.6900000    
 C   0.8046000       1.948400     -0.5744000    
 C   -4.115900      0.3801000      0.7858000    
 C   -5.459300      0.8595000      0.2960000    
 C    3.950400       3.212800     -0.9610000    
 C   -6.236700     -6.7699999E-02 -0.5950000    
 C   -5.955500       2.050100      0.6667000    
 H  -0.7918000      0.1390000      -1.576900    
 H   -1.382300      -1.488600      -1.556000    
 H    2.466200      -3.444100      0.5248000    
 H   -1.478100      0.3624000      0.8881000    
 H   -2.073900      -1.290800      0.8184000    
 H    4.536500      -1.614100       1.061900    
 H   -1.081400      -3.673600      0.1800000    
 H  -0.3221000      -3.962000      -1.397000    
 H   0.3883000      -4.648900      7.1500003E-02
 H    5.030500      0.8184000      0.9957000    
 H    1.103300       2.977000     -0.3497000    
 H   0.6579000       1.882300      -1.656900    
 H  -0.1481000       1.812100     -6.1400000E-02
 H   -3.041700      0.9191000     -0.8604000    
 H   -3.669200       1.129800       1.451800    
 H   -4.283600     -0.5203000       1.390500    
 H    4.073200       4.293600     -0.8490000    
 H    3.290900       3.022900      -1.813600    
 H    4.933400       2.766900      -1.142900    
 H   -5.711800     -0.2259000      -1.542300    
 H   -6.373700      -1.037600     -0.1057000    
 H   -7.231200      0.3263000     -0.8304000    
 H   -5.401300       2.715600       1.320200    
 H   -6.927600       2.388500      0.3238000    


%chk=000037920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037920

0 1
O 3.399534 2.787133 -0.467568
N 1.954775 -2.570905 0.090524
N -3.341956 0.115441 -0.162272
C 0.265196 -1.171630 -0.553006
C 1.483793 -0.379225 -0.384118
C -1.122398 -0.708381 -0.938165
C 2.523712 -1.294482 0.017729
C 0.594664 -2.501741 -0.253030
C 1.793280 1.006752 -0.541341
C -1.986939 -0.283833 0.276141
C 3.845615 -0.884635 0.264912
C 3.134491 1.403307 -0.290411
C -0.256546 -3.740331 -0.247637
C 4.147418 0.481913 0.107215
C 0.766454 2.041137 -0.964308
C -4.261219 0.504436 0.936423
C -5.676745 0.741914 0.419919
C 4.748828 3.262740 -0.181568
C -6.341748 -0.434814 -0.267534
C -6.286355 1.946265 0.583237
H -1.061263 0.138436 -1.646861
H -1.669484 -1.511020 -1.468241
H 2.451171 -3.423914 0.337509
H -1.453019 0.518258 0.845486
H -2.086096 -1.143585 0.967820
H 4.622453 -1.594661 0.569077
H -1.253528 -3.526371 -0.665474
H 0.193241 -4.550797 -0.853695
H -0.405783 -4.135762 0.776478
H 5.169103 0.825812 0.290003
H 1.163042 3.056960 -0.817652
H 0.506418 1.936865 -2.035624
H -0.167722 1.941343 -0.382972
H -3.302707 0.851211 -0.883081
H -3.914142 1.406029 1.497967
H -4.272545 -0.338080 1.659848
H 4.715833 4.348090 -0.362546
H 5.497639 2.799653 -0.855006
H 5.035757 3.071645 0.872001
H -5.685342 -0.825134 -1.066088
H -6.495623 -1.267388 0.448044
H -7.320963 -0.162269 -0.696740
H -5.781940 2.781711 1.084343
H -7.306056 2.129809 0.224662


