%chk=000088339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088339

0 1
 O    5.567100      0.7985000      2.1100000E-02
 N   0.7751000      0.2172000     -6.8000001E-03
 C    2.022200     -0.4762000     -8.2000000E-03
 C  -0.4729000     -0.4530000     -3.0000000E-03
 C   -1.686900      0.2532000     -1.4000000E-03
 C    3.190000      0.5032000     -6.0000003E-04
 C   -2.905700     -0.4661000      2.4000001E-03
 C    4.546900     -0.1910000     -3.8999999E-03
 C  -0.4606000      -1.848200     -7.9999998E-04
 C   -1.718100       1.657200     -3.5000001E-03
 C   -2.874600      -1.870200      4.1999999E-03
 C   -1.659300      -2.555500      2.6000000E-03
 C   -4.119700      0.2398000      3.8999999E-03
 C   -2.933400       2.342300     -1.7000000E-03
 C   -4.132100       1.635000      2.0999999E-03
 C    6.861900      0.2136000     -6.3000000E-03
 H    2.108700      -1.108200     -0.9006000    
 H    2.106600      -1.116400      0.8785000    
 H    3.126100       1.173600     -0.8679000    
 H    3.123600       1.161200      0.8761000    
 H   0.7915000       1.227500     -1.3000000E-02
 H    4.641400     -0.8363000      0.8772000    
 H    4.651000     -0.8051000     -0.9060000    
 H   0.4541000      -2.432400     -2.4000001E-03
 H  -0.8210000       2.267800     -6.2000002E-03
 H   -3.799400      -2.443500      6.8000001E-03
 H   -1.650100      -3.641700      3.8999999E-03
 H   -5.068700     -0.2925000      6.6000000E-03
 H   -2.944600       3.428500     -3.1999999E-03
 H   -5.077900       2.168900      3.4000000E-03
 H    7.603100       1.016900      1.8200001E-02
 H    7.002800     -0.3634000     -0.9254000    
 H    7.012200     -0.4270000      0.8682000    


%chk=000088339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088339

0 1
O 5.594517 0.855489 0.005719
N 0.771852 0.140670 -0.002682
C 2.062545 -0.549926 -0.004877
C -0.455556 -0.517117 -0.001530
C -1.696081 0.250405 -0.000234
C 3.217005 0.470212 0.000334
C -2.959788 -0.460699 0.000824
C 4.589645 -0.209388 -0.008372
C -0.522859 -1.928335 -0.001286
C -1.722767 1.683355 0.000040
C -2.979806 -1.894917 0.001246
C -1.777048 -2.602296 0.000324
C -4.179738 0.295068 0.001554
C -2.928139 2.393261 0.000734
C -4.172123 1.691096 0.001381
C 6.958468 0.332716 -0.007561
H 2.144640 -1.206349 -0.899704
H 2.143047 -1.212862 0.885035
H 3.146139 1.128370 -0.886893
H 3.150507 1.113931 0.898312
H 0.790344 1.157780 -0.007921
H 4.711720 -0.865116 0.884641
H 4.712127 -0.841669 -0.918042
H 0.396542 -2.520430 -0.002692
H -0.790872 2.262340 0.000205
H -3.942666 -2.417351 0.002264
H -1.784813 -3.698430 0.000584
H -5.129879 -0.252930 0.002286
H -2.919330 3.488692 0.000974
H -5.114008 2.250721 0.001907
H 7.625831 1.208437 0.004385
H 7.156657 -0.268807 -0.920979
H 7.163188 -0.298221 0.884326


