%chk=000169724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169724

0 1
 O   -4.956800      0.2729000     -0.6577000    
 O   -1.942300       3.143600      0.1328000    
 O   -5.435500      -1.838800      -1.258500    
 N  -0.3108000       1.506700      2.8700000E-02
 N    2.213600      -1.053800     -0.1139000    
 C   -2.289600     -0.4122000     -0.1217000    
 C   -3.316400      -1.503600     -0.1890000    
 C   3.7500001E-02  0.1678000     -5.8200002E-02
 C   -2.657900      0.8772000     -4.4799998E-02
 C   0.8910000       2.362900      0.1011000    
 C    1.996600       1.360800      4.6000000E-02
 C    1.490100      7.2300002E-02 -4.7499999E-02
 C  -0.8877000     -0.7924000     -0.1325000    
 C   -1.617600       1.961700      4.7200002E-02
 C   -3.557700      -2.144100       1.177100    
 C   -4.095300       1.262600     -5.1800001E-02
 C   -4.646200      -1.039300     -0.7574000    
 C    3.360700       1.527900      7.4400000E-02
 C    4.171500      0.3825000      8.0000004E-03
 C    3.552900     -0.8965000     -8.5900001E-02
 C   -4.082100      -1.131800       2.176600    
 C    5.571100      0.4875000      3.3199999E-02
 C    4.376100      -2.015900     -0.1499000    
 C    6.366100     -0.6535000     -3.2499999E-02
 C    5.768400      -1.904500     -0.1238000    
 H   -2.955100      -2.268500     -0.8908000    
 H   0.8714000       2.921600       1.041400    
 H   0.8925000       3.043800     -0.7552000    
 H  -0.6213000      -1.841300     -0.1986000    
 H   -2.632400      -2.589900       1.561600    
 H   -4.285400      -2.959800       1.084700    
 H   -4.461400       1.476700      0.9570000    
 H   -4.234500       2.170600     -0.6483000    
 H    3.790800       2.522300      0.1472000    
 H   -3.366700     -0.3330000       2.388700    
 H   -5.039300     -0.6984000       1.874900    
 H   -4.263300      -1.639400       3.131400    
 H    6.052900       1.460200      0.1046000    
 H    3.935300      -3.008600     -0.2221000    
 H    7.448200     -0.5657000     -1.2300000E-02
 H    6.383700      -2.798200     -0.1754000    


%chk=000169724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169724

0 1
O -5.015708 0.388108 -0.735949
O -1.870673 3.213026 0.072220
O -5.629186 -1.758308 -1.180091
N -0.307968 1.470878 -0.008893
N 2.247386 -1.069333 -0.114880
C -2.311647 -0.448072 -0.160360
C -3.409051 -1.496911 -0.203735
C 0.041272 0.121215 -0.084772
C -2.646927 0.905093 -0.091833
C 0.870544 2.376903 0.065914
C 2.024591 1.397197 0.028513
C 1.509192 0.050229 -0.062002
C -0.936331 -0.857927 -0.162889
C -1.638497 1.960296 -0.006471
C -3.627614 -2.190258 1.190281
C -4.082591 1.358075 -0.102506
C -4.754704 -0.987042 -0.738213
C 3.398104 1.586480 0.066294
C 4.246049 0.425818 0.013304
C 3.626592 -0.889498 -0.077687
C -4.129746 -1.247464 2.302906
C 5.673897 0.516664 0.047073
C 4.459628 -2.051759 -0.131290
C 6.461840 -0.636284 -0.006451
C 5.850588 -1.927879 -0.096199
H -3.111859 -2.303952 -0.900854
H 0.820760 2.979846 0.991304
H 0.851527 3.084407 -0.783570
H -0.640946 -1.907275 -0.229570
H -2.665628 -2.646870 1.492590
H -4.349571 -3.013419 1.037016
H -4.458473 1.551252 0.921039
H -4.191505 2.290714 -0.678975
H 3.847085 2.584034 0.134715
H -3.427383 -0.411292 2.473208
H -5.122459 -0.826957 2.057520
H -4.230630 -1.798855 3.254619
H 6.142805 1.505646 0.115749
H 3.966365 -3.025910 -0.200318
H 7.553850 -0.556474 0.019782
H 6.482122 -2.821739 -0.137737


