%chk=000226940.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226940

0 1
 O   0.3246000      0.4197000      -2.216800    
 N  -0.7772000      0.5107000     -0.1784000    
 C   -2.113500      0.6403000     -0.7154000    
 C   -2.736600     -0.7346000     -0.9797000    
 C   -2.999300       1.483100      0.2085000    
 C   -3.106100      -1.467100      0.3101000    
 C   -3.368300      0.7469000       1.496500    
 C   -3.996500     -0.6130000       1.207500    
 C   0.3431000      0.4101000     -0.9888000    
 C    1.641400      0.2560000     -0.2834000    
 C    2.121100      -1.002600      1.6899999E-02
 C    2.333500       1.403700      5.0099999E-02
 C    3.343500      -1.119600      0.6785000    
 C    1.373200      -2.245100     -0.3434000    
 C    3.556000       1.286700      0.7117000    
 C    4.061000      2.5000000E-02   1.026000    
 H   -2.029200       1.164900      -1.675300    
 H   -2.054900      -1.360000      -1.568500    
 H   -3.644900     -0.6034000      -1.581700    
 H   -3.922300       1.745100     -0.3243000    
 H   -2.498600       2.425900      0.4597000    
 H   -2.194200      -1.741600      0.8541000    
 H   -3.621800      -2.402600      6.4999998E-02
 H   -4.070500       1.357300       2.075900    
 H   -2.478400      0.6145000       2.122900    
 H   -4.969900     -0.4686000      0.7227000    
 H   -4.184900      -1.140100       2.149600    
 H  -0.6600000      0.4381000      0.8281000    
 H    1.946400       2.389200     -0.1918000    
 H    3.751500      -2.094700      0.9315000    
 H    1.929900      -3.148700     -7.1800001E-02
 H   0.4144000      -2.281200      0.1839000    
 H    1.194800      -2.288500      -1.422900    
 H    4.114600       2.177900      0.9823000    
 H    5.012600     -6.5899998E-02   1.541300    


%chk=000226940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226940

0 1
O 0.126374 -0.487114 -2.114067
N -0.849128 0.368336 -0.185996
C -2.201232 0.471969 -0.780927
C -2.961388 -0.882401 -0.708112
C -3.006596 1.593067 -0.078789
C -3.349095 -1.257443 0.741339
C -3.406696 1.220474 1.371781
C -4.165511 -0.128383 1.417071
C 0.241254 -0.094209 -0.907435
C 1.556266 -0.078189 -0.162339
C 2.498685 -1.142385 -0.317799
C 1.873991 1.034271 0.662260
C 3.724346 -1.054111 0.389759
C 2.223193 -2.347739 -1.198170
C 3.104475 1.106631 1.348921
C 4.032909 0.050971 1.214522
H -2.043320 0.725264 -1.845409
H -2.337008 -1.667744 -1.171273
H -3.880050 -0.793253 -1.323608
H -3.929527 1.765160 -0.667394
H -2.430280 2.538181 -0.098313
H -2.429760 -1.452816 1.331446
H -3.928471 -2.200497 0.743122
H -4.029014 2.027394 1.803914
H -2.504412 1.153768 2.017633
H -5.134321 -0.014451 0.887465
H -4.402934 -0.398193 2.464257
H -0.732703 0.567572 0.808989
H 1.167501 1.869881 0.735102
H 4.449775 -1.869922 0.287081
H 3.022292 -3.101293 -1.089490
H 1.256750 -2.823285 -0.950294
H 2.147127 -2.048137 -2.257233
H 3.338159 1.977514 1.970924
H 4.992848 0.088913 1.741661


