%chk=000037223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037223

0 1
 O   0.4680000      0.2912000      6.9999998E-04
 O   -2.102800      6.9499999E-02  4.3000001E-03
 O    5.003900       1.942800     -3.9999999E-04
 O   -2.057300      -2.223400      3.7000000E-03
 N   -5.515200       1.471000     -5.9000002E-03
 C    2.213000      -1.143300     -1.2000001E-03
 C    1.007400      -1.893100     -6.9999998E-04
 C    1.827200      0.1932000       0.000000    
 C  -1.8999999E-02 -0.9770000      6.0000003E-04
 C   -4.060000       1.459300      8.6000003E-03
 C   -3.534600      3.2699998E-02  7.1999999E-03
 C    3.585900      -1.445800     -3.1000001E-03
 C    2.719000       1.264200      5.0000002E-04
 C   0.8808000      -3.363500      1.6000000E-03
 C   -1.433600      -1.140200      2.6000000E-03
 C    4.079000      0.9404000     -8.9999998E-04
 C    4.507300     -0.3896000     -3.1000001E-03
 C   -6.050600      0.8213000       1.193000    
 C   -6.026900      0.8108000      -1.209500    
 C    4.508500       3.279400      1.9000000E-03
 H   -3.676000       2.001300      0.8825000    
 H   -3.661000       2.007400     -0.8548000    
 H   -3.839900     -0.5199000     -0.8862000    
 H   -3.839800     -0.5191000      0.9014000    
 H    3.938100      -2.472900     -4.4000000E-03
 H    2.318100       2.268700      1.7000000E-03
 H    1.856600      -3.858700     -8.9999998E-04
 H   0.3401000      -3.702200      0.8915000    
 H   0.3344000      -3.704500     -0.8839000    
 H    5.570900     -0.6167000     -4.4000000E-03
 H   -5.603200       1.238800       2.102100    
 H   -5.927900     -0.2668000       1.205300    
 H   -7.126500       1.021600       1.261300    
 H   -7.098900       1.020400      -1.305900    
 H   -5.916000     -0.2786000      -1.205000    
 H   -5.554400       1.212500      -2.113100    
 H    3.939900       3.497600      0.9124000    
 H    3.938700       3.500200     -0.9071000    
 H    5.377400       3.945900      2.3000001E-03


%chk=000037223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037223

0 1
O 0.530212 0.399237 0.004870
O -2.149052 0.014480 0.004251
O 5.252410 1.913888 0.000173
O -1.938519 -2.318777 0.004078
N -5.688629 1.342903 -0.005742
C 2.299425 -1.100150 0.002063
C 1.072600 -1.874007 0.003079
C 1.925276 0.274369 0.003202
C 0.030690 -0.943401 0.004935
C -4.215777 1.275721 -0.001965
C -3.629067 -0.155074 0.002042
C 3.684863 -1.422537 0.000264
C 2.831396 1.346319 0.002737
C 0.953920 -3.372843 0.002508
C -1.410734 -1.171015 0.006482
C 4.201235 0.989452 0.000942
C 4.620801 -0.380370 -0.000299
C -6.345660 0.876985 1.226926
C -6.339506 0.873551 -1.240362
C 4.905035 3.338595 0.001410
H -3.837122 1.813308 0.887571
H -3.832794 1.809888 -0.891702
H -3.919453 -0.734227 -0.893553
H -3.922443 -0.730492 0.899062
H 4.022954 -2.463816 -0.000679
H 2.478693 2.379582 0.003692
H 1.949235 -3.848219 -0.001957
H 0.394867 -3.728728 0.885966
H 0.387312 -3.727528 -0.876562
H 5.696228 -0.579532 -0.001685
H -5.850369 1.330746 2.104431
H -6.340507 -0.233487 1.364959
H -7.401939 1.204725 1.226244
H -7.395808 1.201180 -1.245769
H -6.333592 -0.237299 -1.375354
H -5.839924 1.324962 -2.116635
H 4.329185 3.608188 0.907681
H 4.327039 3.609244 -0.903178
H 5.868118 3.869080 0.000575


