%chk=000113099.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113099

0 1
 O   -2.089400       2.278400     -2.4000001E-03
 O   -4.166100      -1.194300     -3.0000001E-04
 N    2.155900     -5.8300000E-02 -6.1400000E-02
 C   0.7587000     -7.2400004E-02 -4.4599999E-02
 C    2.853300       1.201100     -0.3043000    
 C    2.878500      -1.303400     -0.3050000    
 C   2.0199999E-02   1.133200     -1.5500000E-02
 C   4.4799998E-02  -1.292600     -1.5600000E-02
 C    2.166100       2.341900      0.4333000    
 C    2.214800      -2.458200      0.4320000    
 C   0.7224000       2.468800     -3.8199998E-02
 C   0.7737000      -2.613700     -3.8899999E-02
 C   -1.382800       1.109200     -1.2300000E-02
 C   -1.358300      -1.296800     -1.2100000E-02
 C   -2.067900     -0.1008000     -1.0600000E-02
 C   -3.523900     -0.1418000     -4.1000000E-03
 H    2.882500       1.404000      -1.382000    
 H    3.891000       1.128700      4.1499998E-02
 H    3.914600      -1.210200      4.0700000E-02
 H    2.911800      -1.505000      -1.382900    
 H    2.699800       3.283000      0.2606000    
 H    2.188700       2.148000       1.513700    
 H    2.233300      -2.265000       1.512500    
 H    2.766800      -3.388400      0.2584000    
 H   0.6960000       2.865900      -1.060100    
 H   0.2284000       3.186300      0.6269000    
 H   0.2653000      -3.339800      0.6062000    
 H   0.7557000      -3.002800      -1.064200    
 H   -1.880300      -2.251400     -1.0600000E-02
 H   -4.059100      0.8219000     -3.3000000E-03
 H   -1.552100       3.004300     -0.3565000    


%chk=000113099-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113099

0 1
O -2.169214 2.296239 -0.055254
O -4.271386 -1.229665 0.046608
N 2.141692 -0.064131 -0.128499
C 0.743189 -0.076518 -0.083165
C 2.867369 1.197141 -0.361787
C 2.918629 -1.315781 -0.243945
C 0.011499 1.158929 -0.063328
C 0.030293 -1.330270 -0.055955
C 2.200721 2.356285 0.396727
C 2.216968 -2.478772 0.478015
C 0.733144 2.503828 -0.056153
C 0.793990 -2.648208 -0.088999
C -1.401338 1.114162 -0.044139
C -1.365567 -1.313661 -0.011363
C -2.124889 -0.112060 -0.014134
C -3.593581 -0.155154 0.012968
H 2.909555 1.434487 -1.449149
H 3.908812 1.063224 -0.015449
H 3.917680 -1.135690 0.196835
H 3.074895 -1.582619 -1.313722
H 2.757592 3.292681 0.210871
H 2.240956 2.145997 1.481254
H 2.171655 -2.262982 1.561906
H 2.807910 -3.402716 0.340590
H 0.707543 2.966554 -1.065443
H 0.234464 3.216531 0.635653
H 0.237235 -3.415903 0.478145
H 0.864727 -3.020482 -1.132401
H -1.930688 -2.253429 0.015584
H -4.101977 0.834861 0.004429
H -1.589479 3.096924 -0.075801


