%chk=000076671.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076671

0 1
 O    2.034300     -0.9602000      0.2524000    
 O  -0.1675000       2.229600      0.2535000    
 O   -1.870800      -1.251400      0.2318000    
 O    2.002800       1.005700     -0.9226000    
 O   -1.897700       1.217100     -0.8542000    
 O  -8.9900002E-02  -2.286100     -0.7701000    
 N   2.7999999E-03 -7.4999998E-03 -0.2788000    
 C    3.463100     -0.9744000      0.1588000    
 C  -0.8726000       3.474000      0.1836000    
 C   -2.594800      -2.486000      0.1823000    
 C    1.402900      0.1040000     -0.3397000    
 C  -0.7955000       1.149400     -0.3126000    
 C  -0.6007000      -1.277400     -0.2862000    
 C    3.991100      -2.207800      0.8599000    
 C  -4.2199999E-02   4.549500      0.8510000    
 C   -3.965300      -2.278500      0.7908000    
 H    3.759100     -0.9931000     -0.8958000    
 H    3.868900     -7.5300001E-02  0.6358000    
 H   -1.044500       3.737200     -0.8659000    
 H   -1.835200       3.377100      0.6979000    
 H   -2.697600      -2.806600     -0.8603000    
 H   -2.050700      -3.250800      0.7474000    
 H    5.082400      -2.250900      0.8068000    
 H    3.687500      -2.212700       1.911900    
 H    3.578500      -3.115000      0.4060000    
 H  -0.5521000       5.516200      0.8152000    
 H   0.1538000       4.291400       1.896900    
 H   0.9317000       4.644600      0.3594000    
 H   -4.547400      -3.204000      0.7687000    
 H   -3.878800      -1.939500       1.828400    
 H   -4.514300      -1.502100      0.2478000    


%chk=000076671-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076671

0 1
O 2.020697 -0.870979 0.286857
O -0.252043 2.188333 0.275420
O -1.767625 -1.300623 0.284858
O 2.034465 1.056043 -1.037365
O -1.923653 1.231105 -1.050033
O -0.096682 -2.291599 -1.016703
N 0.003059 0.001560 -0.380338
C 3.510324 -0.974876 0.160232
C -0.905603 3.530214 0.141260
C -2.603534 -2.538494 0.165872
C 1.432999 0.147165 -0.433560
C -0.837692 1.167387 -0.442711
C -0.586725 -1.309536 -0.427122
C 3.925889 -2.208829 0.951555
C -0.054373 4.506866 0.943250
C -3.893903 -2.261593 0.927632
H 3.755868 -1.054396 -0.913959
H 3.950605 -0.041935 0.554938
H -0.946284 3.782939 -0.933472
H -1.938486 3.445342 0.523315
H -2.775261 -2.731955 -0.908167
H -2.026541 -3.380210 0.588490
H 5.021969 -2.336604 0.890249
H 3.646164 -2.109840 2.014251
H 3.444355 -3.114357 0.545820
H -0.487337 5.521220 0.871968
H -0.018091 4.218264 2.007588
H 0.976974 4.537896 0.553598
H -4.554343 -3.146101 0.873009
H -3.687335 -2.046916 1.990007
H -4.426557 -1.398992 0.493360


