%chk=000100932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100932

0 1
 O   -5.750100       1.383300      0.7256000    
 O    7.322200       1.077800     -0.4306000    
 O    6.045300       2.143900       1.008500    
 N   -4.152900      4.5299999E-02 -0.2623000    
 N   -1.790600      -1.134400      0.8116000    
 N    6.228300       1.237000      0.1618000    
 C   -3.052200     -0.2584000      -1.164700    
 C   -4.283200      -1.118000      0.5962000    
 C   -3.375300      -1.700200      -1.585700    
 C   -4.197800      -2.272100     -0.4123000    
 C   -1.757500     -0.1867000     -0.3222000    
 C   -3.068900      -1.101400       1.552700    
 C   -4.823300       1.234100     -7.2400004E-02
 C  -0.6513000     -0.9424000       1.702100    
 C   -4.360500       2.386000     -0.9257000    
 C   0.6494000      -1.149100      0.9841000    
 C   -5.199400       3.608900     -0.6421000    
 C    1.592300     -0.1989000      0.8809000    
 C    2.889300     -0.3588000      0.2023000    
 C    3.926900      0.5086000      0.5052000    
 C    3.048200      -1.374200     -0.7275000    
 C    5.155100      0.3566000     -0.1381000    
 C    4.276200      -1.526200      -1.371000    
 C    5.329800     -0.6608000      -1.076200    
 H   -2.998700      0.4218000      -2.017800    
 H   -5.221800      -1.111500       1.158300    
 H   -2.481900      -2.294500      -1.801800    
 H   -3.997700      -1.697800      -2.488700    
 H   -5.200300      -2.531600     -0.7733000    
 H   -3.753800      -3.179200      9.7000003E-03
 H  -0.9171000     -0.4163000     -0.9873000    
 H   -1.627200      0.8400000      4.4900000E-02
 H   -3.120400     -0.1998000       2.177700    
 H   -3.124900      -1.972100       2.216600    
 H  -0.6920000      -1.680300       2.513400    
 H  -0.6882000      4.7800001E-02   2.175000    
 H   -3.307900       2.596600     -0.7120000    
 H   -4.462700       2.117500      -1.982000    
 H   0.7996000      -2.144500      0.5759000    
 H   -4.868900       4.446200      -1.265100    
 H   -5.115700       3.919000      0.4052000    
 H   -6.258200       3.429300     -0.8582000    
 H    1.412600      0.7740000       1.333200    
 H    3.770200       1.294200       1.240900    
 H    2.250300      -2.055800      -1.004600    
 H    4.410800      -2.315100      -2.105400    
 H    6.271800     -0.8090000      -1.598200    


%chk=000100932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100932

0 1
O -5.982456 1.144017 0.907012
O 7.593394 0.899978 -0.627702
O 6.211577 2.171706 0.664649
N -4.262091 0.142376 -0.275879
N -1.780061 -0.860579 0.769906
N 6.463053 1.123030 -0.045488
C -3.070051 0.045293 -1.154956
C -4.239852 -1.115724 0.512197
C -3.186763 -1.409238 -1.703607
C -3.966266 -2.184755 -0.585942
C -1.815528 0.214028 -0.254610
C -3.061137 -1.006345 1.514019
C -5.101134 1.210236 -0.009201
C -0.593965 -0.789806 1.652620
C -4.918504 2.456637 -0.893796
C 0.683927 -1.106653 0.908033
C -5.977756 3.534464 -0.603235
C 1.809836 -0.340788 0.957825
C 3.100154 -0.610591 0.291002
C 4.146096 0.339742 0.426016
C 3.354638 -1.780683 -0.484833
C 5.385461 0.110755 -0.203102
C 4.602463 -1.988435 -1.106719
C 5.641653 -1.041596 -0.975019
H -3.076805 0.813199 -1.944297
H -5.192643 -1.236559 1.049692
H -2.189365 -1.843714 -1.883606
H -3.748369 -1.411611 -2.654133
H -4.920155 -2.583980 -0.971485
H -3.371248 -3.021163 -0.183505
H -0.894505 0.151197 -0.863281
H -1.845859 1.233893 0.209488
H -3.263091 -0.144093 2.195590
H -3.001308 -1.922682 2.131270
H -0.739860 -1.548169 2.450143
H -0.498858 0.200583 2.166112
H -3.901331 2.867388 -0.727462
H -4.958787 2.156544 -1.960318
H 0.644951 -2.030583 0.313352
H -5.800585 4.429214 -1.227193
H -5.953376 3.829140 0.459116
H -6.992394 3.153923 -0.809031
H 1.774560 0.583918 1.553436
H 4.008832 1.253635 1.012198
H 2.570504 -2.536398 -0.598710
H 4.771371 -2.895224 -1.696439
H 6.619537 -1.176728 -1.443524


