%chk=000037068.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037068

0 1
 O    2.038700      0.6227000     -0.1291000    
 O   -1.406200      0.2672000      -1.002100    
 O   -2.847800      -1.976400     -0.2170000    
 O   0.9518000     -0.9424000      -1.432200    
 N    5.677500      9.9900000E-02  0.1386000    
 C    4.378900      0.7382000      0.3517000    
 C    3.281700     -2.0800000E-02 -0.3773000    
 C    5.646400      -1.287900      0.5988000    
 C    6.731700      0.8434000      0.8275000    
 C  -0.2860000      0.8480000     -0.3647000    
 C   -2.621900      0.4018000     -0.3759000    
 C   0.9428000      5.3900000E-02 -0.7219000    
 C   -3.334600     -0.7251000      1.3000000E-02
 C   -3.121400       1.676500     -0.1409000    
 C   -4.567700     -0.5749000      0.6476000    
 C   -4.354400       1.826800      0.4939000    
 C   -5.077400      0.7010000      0.8880000    
 C   -2.032100      -2.551900      0.8018000    
 H    4.130900      0.8099000       1.419600    
 H    4.397500       1.769200     -2.4800001E-02
 H    3.183500      -1.048500     -1.4800000E-02
 H    3.477600     -3.3799998E-02  -1.456500    
 H    5.073800      -1.930200     -7.7399999E-02
 H    5.251500      -1.385200       1.616700    
 H    6.657900      -1.712700      0.5958000    
 H    6.773000       1.877100      0.4664000    
 H    6.582900      0.8629000       1.913200    
 H    7.713100      0.4020000      0.6214000    
 H  -0.3966000      0.8307000      0.7263000    
 H  -0.1590000       1.874000     -0.7245000    
 H   -2.571900       2.561000     -0.4503000    
 H   -5.137000      -1.447400      0.9566000    
 H   -4.752400       2.820200      0.6794000    
 H   -6.037800      0.8179000       1.381600    
 H   -2.603900      -2.671300       1.727500    
 H   -1.146900      -1.934900      0.9844000    
 H   -1.705800      -3.538700      0.4625000    


%chk=000037068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037068

0 1
O 2.118312 0.369700 0.073239
O -1.407431 -0.377873 -0.074482
O -3.721832 -1.950300 -0.644703
O 1.012862 -1.663553 -0.258769
N 5.861911 0.168673 0.124903
C 4.499703 0.707693 0.335957
C 3.439834 -0.304806 -0.114309
C 6.246050 -0.858864 1.116278
C 6.881287 1.232636 0.013600
C -0.241403 0.428100 0.229461
C -2.677625 0.179121 0.182930
C 0.988417 -0.440709 -0.024658
C -3.799545 -0.660094 -0.104964
C -2.881297 1.492381 0.667587
C -5.100781 -0.139031 0.076168
C -4.191409 1.992352 0.848280
C -5.303198 1.178093 0.543864
C -2.715101 -2.905863 -0.125380
H 4.308144 0.997419 1.399708
H 4.385589 1.620746 -0.275836
H 3.443105 -1.237113 0.476730
H 3.563180 -0.559531 -1.180709
H 5.533733 -1.701335 1.101169
H 6.292063 -0.461608 2.162325
H 7.241366 -1.261598 0.858892
H 6.609669 1.927251 -0.800658
H 7.008925 1.828696 0.952501
H 7.858068 0.781427 -0.236394
H -0.231911 0.752656 1.291265
H -0.188978 1.333589 -0.407519
H -2.027100 2.140863 0.886844
H -5.942371 -0.797004 -0.161987
H -4.334031 3.013086 1.218069
H -6.321656 1.558115 0.674795
H -2.813886 -3.008045 0.972574
H -1.691072 -2.593898 -0.381104
H -2.971194 -3.859171 -0.612765


