%chk=000227138.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227138

0 1
 O    1.284400       1.304000       1.727100    
 O   0.1751000      -1.723200      0.5899000    
 N  -0.6633000       2.932100     -0.6968000    
 C  -0.1502000      0.5744000     -6.8099998E-02
 C    1.301900      0.9757000      0.3284000    
 C    1.697800       2.262100     -0.4344000    
 C   -1.116100       1.771500      8.1900001E-02
 C   0.6640000       3.378700     -0.2593000    
 C  -0.6881000     -0.6047000      0.7561000    
 C    2.310200     -0.1435000      5.0099999E-02
 C   -2.087600     -0.9796000      0.3434000    
 C   -1.629600       4.025700     -0.5946000    
 C    2.508300     -0.5885000      -1.254500    
 C    3.024300     -0.7102000       1.102700    
 C   -3.168600     -0.3762000      0.9699000    
 C   -2.274700      -1.922300     -0.6574000    
 C    3.426500      -1.607500      -1.508100    
 C    3.942600      -1.729100      0.8490000    
 C    4.143600      -2.177700     -0.4565000    
 C   -4.464400     -0.7232000      0.5877000    
 C   -3.570700      -2.269100      -1.039600    
 C   -4.665500      -1.669400     -0.4169000    
 H  -0.1496000      0.2869000      -1.130300    
 H    1.819500       2.067600      -1.507300    
 H    2.664900       2.629400     -6.6299997E-02
 H   -2.088800       1.506600     -0.3419000    
 H   -1.274100       2.037300       1.134500    
 H   0.6467000       3.740000      0.7763000    
 H   0.9846000       4.226200     -0.8784000    
 H  -0.6830000     -0.3711000       1.827500    
 H   0.6380000       2.004200       1.901600    
 H   -1.315700       4.875300      -1.211400    
 H   -1.752100       4.375300      0.4370000    
 H   -2.609600       3.712400     -0.9714000    
 H    1.958700     -0.1646000      -2.089700    
 H    2.893000     -0.3887000       2.131200    
 H   0.3457000      -1.857000     -0.3569000    
 H   -3.028800      0.3513000       1.764300    
 H   -1.449400      -2.398700      -1.176100    
 H    3.582000      -1.958100      -2.524200    
 H    4.500600      -2.174100       1.667700    
 H    4.858100      -2.971500     -0.6539000    
 H   -5.317000     -0.2587000       1.074500    
 H   -3.727800      -3.003300      -1.824400    
 H   -5.674500      -1.939400     -0.7146000    


%chk=000227138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227138

0 1
O 1.148690 1.095403 1.798881
O -0.028038 -2.015598 -0.076878
N -0.627855 2.877350 -0.814541
C -0.147906 0.479460 -0.238816
C 1.258890 0.902166 0.331566
C 1.711187 2.238754 -0.327422
C -1.135803 1.667386 -0.132115
C 0.640760 3.338993 -0.221015
C -0.693772 -0.814101 0.460671
C 2.353203 -0.155323 0.123693
C -2.185749 -1.031125 0.247830
C -1.644424 3.944741 -0.887426
C 2.701709 -0.572131 -1.190234
C 3.073502 -0.690297 1.221688
C -3.117032 -0.671886 1.251850
C -2.663097 -1.577125 -0.970054
C 3.742821 -1.501831 -1.399506
C 4.115610 -1.623380 1.010766
C 4.456379 -2.031885 -0.298180
C -4.505247 -0.838353 1.040705
C -4.048751 -1.746952 -1.182741
C -4.975956 -1.372593 -0.180816
H -0.029970 0.248347 -1.315406
H 1.922911 2.062910 -1.396866
H 2.650216 2.563682 0.158019
H -2.091112 1.379540 -0.601800
H -1.370478 1.877897 0.950471
H 0.502492 3.650885 0.855564
H 0.985569 4.241357 -0.758691
H -0.486871 -0.717054 1.547529
H 0.597429 1.902208 1.962975
H -1.247808 4.797463 -1.466932
H -1.958814 4.324798 0.117888
H -2.543326 3.566500 -1.404920
H 2.152219 -0.182290 -2.055077
H 2.808881 -0.361262 2.229400
H 0.951369 -1.914964 0.046256
H -2.755726 -0.273491 2.208385
H -1.937897 -1.894349 -1.726159
H 3.993030 -1.816451 -2.418742
H 4.660231 -2.029357 1.870716
H 5.263478 -2.754862 -0.460476
H -5.215277 -0.561622 1.828521
H -4.407221 -2.177255 -2.125063
H -6.051145 -1.507005 -0.345698


