%chk=000227287.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227287

0 1
 O   -2.965700      0.5624000      4.6000000E-02
 O   6.5399997E-02  0.5883000      -1.886900    
 O   -1.545200       2.154700      0.9006000    
 O   0.3399000      -2.651400       1.015700    
 N   -1.199100      -1.291000     -8.0700003E-02
 C  -0.6627000     -1.6000001E-02  0.3248000    
 C   0.3765000      0.3633000     -0.7178000    
 C    1.811700      0.4443000     -0.3277000    
 C   -1.758700       1.021700      0.4817000    
 C    2.127400      0.7955000      0.9664000    
 C    2.771900      0.1654000      -1.275100    
 C  -0.6487000      -2.504500      0.3017000    
 C   -4.044300       1.502400      9.5600002E-02
 C    3.471500      0.8716000       1.331500    
 C    4.116000      0.2414000     -0.9101000    
 C    4.465700      0.5945000      0.3933000    
 C   -1.418900      -3.679000     -0.2398000    
 C   -5.302600      0.8367000     -0.4193000    
 H  -0.2353000     -0.1705000       1.317400    
 H   -2.011500      -1.293500     -0.6916000    
 H    1.384800       1.057900       1.711300    
 H    2.514800     -0.1162000      -2.291700    
 H   -4.195600       1.830000       1.130100    
 H   -3.801800       2.369200     -0.5292000    
 H    3.744600       1.155700       2.343600    
 H    4.890300      2.4800001E-02  -1.640200    
 H    5.512300      0.6556000      0.6770000    
 H  -0.8598000      -4.601300     -5.9700001E-02
 H   -2.388600      -3.742300      0.2615000    
 H   -1.571500      -3.566000      -1.316900    
 H   -6.149100       1.528500     -0.3955000    
 H   -5.160200      0.4869000      -1.447200    
 H   -5.547600     -4.3200001E-02  0.1846000    


%chk=000227287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227287

0 1
O -2.280598 0.262048 -0.011105
O 0.581482 -1.044612 -1.928239
O -0.905288 0.927300 1.746072
O -2.124280 -2.463720 1.835473
N -0.995990 -2.157867 -0.158565
C -0.251199 -1.019213 0.351173
C 0.741277 -0.569156 -0.763831
C 1.855465 0.362518 -0.439784
C -1.166892 0.156381 0.796213
C 2.102431 0.847002 0.875506
C 2.716855 0.757114 -1.504006
C -1.916992 -2.815943 0.631138
C -3.265385 1.328468 0.369560
C 3.194677 1.707163 1.114419
C 3.804206 1.614653 -1.259260
C 4.047299 2.090674 0.053320
C -2.656270 -3.971009 -0.031049
C -4.419740 1.229586 -0.620174
H 0.306361 -1.295214 1.265139
H -0.876740 -2.349895 -1.159796
H 1.438287 0.582154 1.703503
H 2.510476 0.373071 -2.508337
H -3.577268 1.140695 1.412256
H -2.746749 2.303338 0.328630
H 3.378579 2.079839 2.127381
H 4.463205 1.912924 -2.081583
H 4.895993 2.756516 0.246110
H -2.564168 -4.868811 0.603169
H -3.730637 -3.723890 -0.094703
H -2.283320 -4.204594 -1.042643
H -5.178105 1.998440 -0.384709
H -4.070001 1.391331 -1.653977
H -4.901072 0.238609 -0.563902


