%chk=000101056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101056

0 1
 O    1.899000      -2.380500     -8.1100002E-02
 O    1.507900       2.260600      0.1169000    
 O   -6.568900      0.4731000     -0.5176000    
 O   -4.640300       1.547100      -1.030700    
 N    1.192900     -0.1034000      2.8600000E-02
 C  -0.2350000     -0.2250000      5.8200002E-02
 C   -3.018300     -0.4617000      0.1160000    
 C   -4.504000     -0.5884000      0.1470000    
 C    3.418400     -0.6053000     -6.1200000E-02
 C    3.303300      0.7677000      2.8400000E-02
 C    2.074100      -1.175600     -5.5100001E-02
 C    1.882900       1.102500      7.9599999E-02
 C  -0.8620000      -1.290700     -0.5918000    
 C   -1.005800      0.7220000      0.7369000    
 C   -2.251600      -1.408900     -0.5629000    
 C   -2.395400      0.6038000      0.7659000    
 C    4.647100      -1.232000     -0.1303000    
 C    4.410200       1.593200      4.9300000E-02
 C   -5.088400     -0.7517000       1.565100    
 C   -5.214500      0.5884000     -0.5308000    
 C    5.782800     -0.4180000     -0.1096000    
 C    5.665400      0.9829000     -2.0700000E-02
 H   -4.793700      -1.475300     -0.4333000    
 H  -0.2995000      -2.030500      -1.153100    
 H  -0.5536000       1.548000       1.277200    
 H   -2.721300      -2.241700      -1.079500    
 H   -2.974500       1.348100       1.305900    
 H    4.737700      -2.309800     -0.1977000    
 H    4.320100       2.671100      0.1168000    
 H   -4.578800      -1.558700       2.103100    
 H   -4.983200      0.1665000       2.153800    
 H   -6.155100     -0.9981000       1.529500    
 H    6.770100     -0.8694000     -0.1624000    
 H    6.563600       1.594700     -6.6999998E-03
 H   -7.004500       1.237600     -0.9512000    


%chk=000101056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101056

0 1
O 1.746367 -2.416223 0.062591
O 1.362316 2.306315 -0.063024
O -5.728276 0.541964 -1.577458
O -5.508473 1.709113 0.416376
N 1.150584 -0.087516 0.012764
C -0.282493 -0.204246 0.057776
C -3.113334 -0.444406 0.159089
C -4.637718 -0.612135 0.249333
C 3.435747 -0.611638 -0.032015
C 3.321258 0.795896 -0.066467
C 2.065344 -1.204550 0.017840
C 1.872970 1.161865 -0.039456
C -0.927846 -1.276621 -0.605238
C -1.053248 0.752708 0.765283
C -2.331806 -1.389709 -0.546685
C -2.455400 0.631196 0.807579
C 4.686888 -1.246534 -0.045429
C 4.453084 1.623430 -0.117091
C -5.094212 -0.936522 1.695892
C -5.321945 0.661670 -0.241421
C 5.839592 -0.420252 -0.095799
C 5.724525 0.993158 -0.131636
H -4.939264 -1.427869 -0.429655
H -0.340636 -2.020027 -1.148247
H -0.562328 1.591295 1.263614
H -2.822359 -2.223266 -1.062504
H -3.043389 1.384267 1.344061
H 4.761927 -2.337970 -0.018001
H 4.349857 2.712574 -0.143342
H -4.571443 -1.837131 2.060639
H -4.864677 -0.096876 2.373345
H -6.182909 -1.119987 1.735348
H 6.834286 -0.878319 -0.107560
H 6.632049 1.604941 -0.170575
H -6.127941 1.404002 -1.877429


