%chk=000099421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099421

0 1
 O    2.126100     -0.6916000     -0.9017000    
 O   -4.333200     -0.7713000      0.5562000    
 O    2.544000      0.2025000       1.203600    
 N   -2.518500      0.4030000     -0.3551000    
 N    4.164900      0.2616000     -0.4552000    
 C   -4.699900       1.443500     -0.3286000    
 C    5.201700      0.9282000      0.2978000    
 C   -3.847600      0.2179000      1.5000000E-02
 C   -6.135200       1.042100     -0.6621000    
 C   -4.681400       2.437200      0.8315000    
 C   -1.443600     -0.5041000     -0.1975000    
 C    5.060500       2.439400      0.1700000    
 C    6.578400      0.4618000     -0.1594000    
 C  -0.1804000     -0.1395000     -0.6327000    
 C   0.8787000      -1.034300     -0.4792000    
 C   -1.678200      -1.737700      0.3867000    
 C    2.923600     -4.5699999E-02  6.2899999E-02
 C   0.6592000      -2.280700      0.1075000    
 C  -0.6193000      -2.632400      0.5403000    
 H   -4.278000       1.930900      -1.216700    
 H    5.078700      0.6603000       1.354200    
 H   -6.720900       1.913200     -0.9741000    
 H   -6.636300      0.5876000      0.1997000    
 H   -6.152800      0.3113000      -1.478000    
 H   -5.090900       1.989000       1.743600    
 H   -5.269800       3.329100      0.5930000    
 H   -3.657700       2.756600       1.054700    
 H   -2.270300       1.290200     -0.7873000    
 H    5.829200       2.955300      0.7547000    
 H    5.152900       2.759800     -0.8738000    
 H    4.081700       2.773700      0.5307000    
 H    6.677000     -0.6235000     -4.7100000E-02
 H    7.368900      0.9368000      0.4307000    
 H    6.749700      0.7007000      -1.215000    
 H    4.337300      4.4100001E-02  -1.432300    
 H  -5.5000000E-03  0.8305000      -1.091000    
 H   -2.635600      -2.084200      0.7461000    
 H    1.479600      -2.982600      0.2297000    
 H  -0.7888000      -3.603400      0.9967000    


%chk=000099421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099421

0 1
O 2.283644 -0.968563 -0.024183
O -4.477059 -0.769197 0.108737
O 2.251284 1.422127 0.117062
N -2.445910 0.412802 0.148500
N 4.229109 0.168992 0.002688
C -4.568131 1.681231 0.229249
C 5.158166 1.323003 0.012855
C -3.839412 0.325111 0.159944
C -5.376460 1.889592 -1.078005
C -5.499490 1.701965 1.467006
C -1.481331 -0.634099 0.074345
C 5.312634 1.927778 -1.402710
C 6.507823 0.876365 0.607950
C -0.117272 -0.232115 0.067902
C 0.882853 -1.221990 -0.004648
C -1.834439 -2.006824 0.010266
C 2.868735 0.329867 0.037455
C 0.556253 -2.595970 -0.068787
C -0.802577 -2.968469 -0.060142
H -3.827072 2.502189 0.324734
H 4.699136 2.086459 0.668222
H -5.939640 2.839292 -1.032886
H -6.093860 1.060462 -1.208027
H -4.718698 1.917734 -1.965797
H -6.211792 0.860548 1.409780
H -6.070280 2.647566 1.502018
H -4.929071 1.605170 2.408586
H -2.058394 1.358203 0.196826
H 5.958872 2.823886 -1.369769
H 5.768446 1.196673 -2.095849
H 4.328558 2.227428 -1.802180
H 6.382600 0.474480 1.628958
H 7.201987 1.733057 0.655597
H 6.982271 0.098436 -0.021435
H 4.596081 -0.779779 -0.087785
H 0.165247 0.822181 0.118195
H -2.886654 -2.293791 0.016488
H 1.359017 -3.336257 -0.123371
H -1.066974 -4.030245 -0.109289


