%chk=000028680.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028680

0 1
 O  -0.8917000      -3.837900     -0.7919000    
 N   -1.768400      -2.117200      0.5070000    
 N   -4.759100       3.442600      0.1173000    
 N    6.517500      0.8746000      0.5193000    
 C   -1.227800      -1.005900     -0.2494000    
 C   0.2233000     -0.7226000      0.1953000    
 C   0.9942000      0.2556000     -0.7066000    
 C   -2.166300      0.1777000     -0.1521000    
 C    2.457300      0.4201000     -0.3824000    
 C   -2.813100      0.6218000      -1.291800    
 C   -2.357400      0.7886000       1.074800    
 C    2.849700       1.399300      0.5176000    
 C    3.387100     -0.4114000     -0.9889000    
 C   -1.549900      -3.438500      0.1650000    
 C   -3.678700       1.711900      -1.201900    
 C   -3.223100       1.878600       1.164900    
 C   -3.883900       2.340300      2.6400000E-02
 C    4.203300       1.550900      0.8183000    
 C    4.740700     -0.2600000     -0.6883000    
 C    5.148900      0.7211000      0.2154000    
 C   -2.202900      -4.389400       1.132000    
 H   -1.180800      -1.336200      -1.295900    
 H   0.2497000     -0.3602000       1.231100    
 H   0.7762000      -1.672300      0.2111000    
 H   0.9019000     -7.0299998E-02  -1.751500    
 H   0.5117000       1.241200     -0.6734000    
 H   -2.290800      -1.917700       1.355800    
 H   -2.662000      0.1414000      -2.254000    
 H   -1.855100      0.4397000       1.972100    
 H    2.120400       2.048400      0.9939000    
 H    3.078700      -1.180000      -1.691900    
 H   -4.187600       2.062400      -2.096300    
 H   -3.375300       2.359200       2.127900    
 H    4.508700       2.318800       1.524400    
 H    5.467800     -0.9131000      -1.164100    
 H   -2.183600      -5.402800      0.7216000    
 H   -1.659600      -4.375000       2.080800    
 H   -3.244200      -4.101500       1.303300    
 H   -4.907400       3.899000       1.007400    
 H   -5.237800       3.778200     -0.7080000    
 H    6.813900       1.585300       1.175000    
 H    7.203500      0.2730000      8.3099999E-02


%chk=000028680-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028680

0 1
O -0.802643 -3.758406 -0.916901
N -1.783666 -2.148102 0.440111
N -4.868873 3.465363 0.228872
N 6.564543 0.872910 0.730548
C -1.204190 -0.996431 -0.308836
C 0.266349 -0.757675 0.123711
C 0.999415 0.266057 -0.783272
C -2.131349 0.209568 -0.168729
C 2.462617 0.441458 -0.403771
C -3.144454 0.443102 -1.133839
C -2.060448 1.099397 0.934457
C 2.917071 1.588863 0.293900
C 3.423101 -0.557907 -0.711169
C -1.541714 -3.459096 0.074551
C -4.051020 1.513059 -1.014067
C -2.960131 2.174440 1.073806
C -3.974828 2.400634 0.098935
C 4.266865 1.741080 0.674547
C 4.775499 -0.424329 -0.341940
C 5.221512 0.732163 0.361619
C -2.221111 -4.525123 0.932488
H -1.178255 -1.316310 -1.369799
H 0.316103 -0.426312 1.179056
H 0.789614 -1.729794 0.068922
H 0.917803 -0.085944 -1.832087
H 0.476619 1.240004 -0.733656
H -2.401107 -1.938788 1.226529
H -3.222852 -0.229247 -1.997389
H -1.285259 0.963372 1.698267
H 2.200829 2.383213 0.540978
H 3.106576 -1.457075 -1.255574
H -4.819243 1.669479 -1.781553
H -2.877721 2.848207 1.935935
H 4.587626 2.643662 1.210443
H 5.494398 -1.212516 -0.599994
H -2.840899 -5.167339 0.283246
H -1.448296 -5.169059 1.387208
H -2.855197 -4.108707 1.734758
H -4.808577 4.103397 1.016562
H -5.585306 3.632222 -0.471202
H 6.884393 1.699869 1.224889
H 7.244207 0.154340 0.501843


