%chk=000050736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050736

0 1
 O   0.5695000     -0.6444000      0.1200000    
 O  -0.3005000      -2.211500      -1.324400    
 N    2.882300       1.022800      0.3134000    
 N   -3.083800       2.661600      0.6704000    
 C    2.935700     -0.3864000      0.7240000    
 C    1.880100      -1.156800     -8.9599997E-02
 C    2.640500     -0.4572000       2.228500    
 C    4.343600     -0.9362000      0.4518000    
 C    3.165700       1.150700      -1.105300    
 C    3.109900       2.596300      -1.554200    
 C  -0.4309000      -1.266900     -0.5616000    
 C   -1.742200     -0.6397000     -0.2588000    
 C   -1.783000      0.7026000      5.8800001E-02
 C   -2.880100      -1.419200     -0.3036000    
 C   -3.015000       1.291000      0.3438000    
 C   -4.112200     -0.8308000     -1.8500000E-02
 C   -4.179700      0.5243000      0.3052000    
 H    1.882100      -2.196200      0.2697000    
 H    2.106400      -1.224700      -1.159300    
 H    1.958900       1.407000      0.5140000    
 H    2.640800      -1.495300       2.579800    
 H    1.661900     -2.7799999E-02   2.472900    
 H    3.394200      8.9199997E-02   2.807800    
 H    5.122000     -0.2703000      0.8426000    
 H    4.473100      -1.905000      0.9503000    
 H    4.540300      -1.118000     -0.6098000    
 H    4.167900      0.7961000      -1.362300    
 H    2.442700      0.6306000      -1.738200    
 H    2.115700       3.025300      -1.388600    
 H    3.839900       3.207500      -1.012400    
 H    3.335000       2.673800      -2.623100    
 H  -0.8847000       1.314200      7.9000004E-02
 H   -2.840000      -2.475900     -0.5508000    
 H   -5.018900      -1.428000     -4.7800001E-02
 H   -5.145900      0.9710000      0.5254000    
 H   -2.239800       3.218000      0.7001000    
 H   -3.976900       3.088000      0.8784000    


%chk=000050736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050736

0 1
O 0.603614 -0.689160 0.217372
O -0.322577 -2.487426 -0.935636
N 2.951981 0.998222 0.061181
N -3.180320 2.445402 1.337779
C 2.980091 -0.350681 0.701228
C 1.941529 -1.327758 0.083265
C 2.676568 -0.140887 2.204831
C 4.381421 -0.987654 0.538486
C 3.268233 1.105957 -1.382704
C 3.098669 2.564284 -1.846460
C -0.471600 -1.385094 -0.350991
C -1.768535 -0.667296 -0.178282
C -1.846216 0.565754 0.511317
C -2.932099 -1.261925 -0.732274
C -3.095876 1.228835 0.658534
C -4.170277 -0.602760 -0.586570
C -4.261289 0.626610 0.097471
H 1.924965 -2.301943 0.605862
H 2.134132 -1.514069 -0.989325
H 2.045615 1.448692 0.259360
H 2.698366 -1.101727 2.750675
H 1.676413 0.307372 2.346791
H 3.430766 0.535626 2.641616
H 5.147287 -0.275105 0.890659
H 4.458749 -1.912696 1.137802
H 4.605663 -1.245808 -0.512592
H 4.317820 0.795533 -1.539756
H 2.634925 0.447914 -2.027663
H 2.049959 2.899139 -1.727233
H 3.743100 3.233424 -1.249548
H 3.365990 2.671780 -2.913110
H -0.934398 1.001417 0.932072
H -2.842951 -2.216101 -1.259137
H -5.077342 -1.048821 -1.009237
H -5.232584 1.126149 0.201683
H -2.353968 2.874331 1.743148
H -4.071221 2.920171 1.446987


