%chk=000036505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036505

0 1
 O    1.321600      -1.022800      0.1685000    
 O  -0.3789000       2.633200     -0.2943000    
 N    3.436800     -8.2099997E-02  8.0399998E-02
 C  -0.7487000      0.2791000     -1.1100000E-02
 C    2.087100      0.1218000      3.9999999E-02
 C   -2.182000      0.2817000     -2.7000001E-02
 C  -4.7300000E-02 -0.9245000      0.1415000    
 C    3.997800      -1.416100      0.2476000    
 C    4.375200      0.9701000     -0.2863000    
 C   -2.849500     -0.9670000      0.1151000    
 C   7.8900002E-02   1.508700     -0.1507000    
 C    1.544200       1.336600     -0.1126000    
 C  -0.7271000      -2.130800      0.2791000    
 C   -2.115400      -2.149700      0.2654000    
 C   -3.015100       1.423000     -0.1723000    
 C    4.194800      -2.073000      -1.105200    
 C    4.721600       1.807900      0.9294000    
 C   -4.252900      -1.037900      0.1077000    
 C   -4.411000       1.336300     -0.1774000    
 C   -5.030300      0.1056000     -3.7700001E-02
 H    4.965800      -1.349100      0.7599000    
 H    3.372400      -2.047300      0.8901000    
 H    5.307400      0.5371000     -0.6708000    
 H    4.000900       1.596600      -1.104700    
 H    2.115300       2.251500     -0.2120000    
 H  -0.1803000      -3.062700      0.3972000    
 H   -2.621200      -3.107500      0.3747000    
 H   -2.604200       2.420000     -0.2862000    
 H    3.244800      -2.177700      -1.639700    
 H    4.873500      -1.498500      -1.743400    
 H    4.621200      -3.073400     -0.9792000    
 H    5.171800       1.190300       1.714300    
 H    3.845500       2.300100       1.361500    
 H    5.443400       2.585100      0.6586000    
 H   -4.759000      -1.995800      0.2166000    
 H   -5.008300       2.236400     -0.2913000    
 H   -6.113500      3.3399999E-02 -4.1299999E-02


%chk=000036505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036505

0 1
O 1.351859 -0.966767 0.097380
O -0.486085 2.757505 -0.348048
N 3.463379 -0.061866 -0.028026
C -0.755692 0.331984 -0.051800
C 2.111643 0.200510 -0.041798
C -2.209333 0.275695 -0.039383
C -0.060692 -0.882789 0.100377
C 3.996630 -1.428598 0.190310
C 4.429447 1.035480 -0.251796
C -2.869020 -1.007368 0.125305
C 0.043730 1.595569 -0.207849
C 1.487082 1.434276 -0.178774
C -0.696230 -2.146140 0.263539
C -2.083866 -2.200362 0.274733
C -3.032368 1.443461 -0.184866
C 4.176121 -2.224719 -1.120895
C 4.779640 1.814676 1.035706
C -4.299373 -1.076973 0.138708
C -4.427940 1.340731 -0.167507
C -5.072365 0.077036 -0.005246
H 4.967845 -1.321736 0.709088
H 3.319062 -1.972573 0.868269
H 5.343765 0.585249 -0.679951
H 4.026805 1.721399 -1.019819
H 2.072400 2.350988 -0.260323
H -0.074773 -3.039046 0.374488
H -2.596555 -3.161100 0.398730
H -2.531178 2.406302 -0.308428
H 3.202624 -2.376781 -1.617087
H 4.845633 -1.696435 -1.824012
H 4.617016 -3.216237 -0.908576
H 5.225205 1.145861 1.793964
H 3.880916 2.280086 1.475441
H 5.508918 2.614664 0.812216
H -4.777514 -2.055873 0.264855
H -5.035188 2.245901 -0.280431
H -6.166250 0.016590 0.005905


