%chk=000110769.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110769

0 1
 O   -1.802700       1.943100     -7.7000000E-03
 N   -2.557400     -0.3092000     -0.2398000    
 N   0.7691000      0.7814000      0.2158000    
 C  -0.2770000      0.1530000     -0.5701000    
 C  -0.4516000      -1.318200     -0.2306000    
 C   -1.908800      -1.566900     -0.5643000    
 C   -1.623600      0.7510000     -0.2113000    
 C    2.075700      0.2174000     -0.1022000    
 C   -3.968600     -0.2056000     -5.7999998E-02
 C    3.181000      0.9138000      0.6926000    
 C   -4.558200       1.040000      0.1765000    
 C   -4.771000      -1.349200     -0.1122000    
 C    4.540600      0.3550000      0.3564000    
 C   -5.937800       1.141400      0.3547000    
 C   -6.150700      -1.247800      6.6000000E-02
 C    5.036300     -0.7151000       1.085700    
 C    5.273000      0.9203000     -0.6766000    
 C   -6.734200     -2.4999999E-03  0.2996000    
 C    6.293900      -1.232200      0.7749000    
 C    6.530700      0.4033000     -0.9874000    
 C    7.041200     -0.6730000     -0.2618000    
 H  -0.1267000      0.3005000      -1.647100    
 H  -0.2902000      -1.500000      0.8408000    
 H   0.2180000      -1.978100     -0.7907000    
 H   -2.051700      -1.771000      -1.631000    
 H   -2.284500      -2.397700      3.8899999E-02
 H   0.7810000       1.784000      2.8600000E-02
 H    2.104200     -0.8530000      0.1332000    
 H    2.277600      0.3215000      -1.176200    
 H    2.997600      0.8098000       1.770400    
 H    3.172600       1.993700      0.4928000    
 H   -4.003000       1.966600      0.2303000    
 H   -4.367900      -2.338100     -0.3034000    
 H   -6.393400       2.110700      0.5361000    
 H   -6.771700      -2.137700      2.0300001E-02
 H    4.461200      -1.158700       1.893500    
 H    4.883200       1.757400      -1.248900    
 H   -7.808500      7.6600000E-02  0.4375000    
 H    6.691200      -2.070600       1.339500    
 H    7.112300      0.8383000      -1.795000    
 H    8.020300      -1.075800     -0.5040000    


%chk=000110769-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110769

0 1
O -1.674356 1.746413 -0.042153
N -2.643477 -0.436639 -0.152040
N 0.801488 0.360782 0.351897
C -0.277270 -0.271502 -0.410063
C -0.626440 -1.720907 0.002017
C -2.143087 -1.833522 -0.291805
C -1.596959 0.491412 -0.175505
C 2.168965 0.041762 -0.098818
C -4.041703 -0.150660 -0.085007
C 3.214481 0.794707 0.761518
C -4.518852 1.159390 0.205051
C -4.980224 -1.196339 -0.308780
C 4.639009 0.436751 0.366052
C -5.906466 1.399376 0.271772
C -6.365248 -0.938489 -0.235548
C 5.315100 -0.640999 0.994671
C 5.308082 1.140427 -0.668668
C -6.840269 0.359319 0.056533
C 6.621624 -1.008370 0.600606
C 6.614694 0.777543 -1.066973
C 7.276429 -0.300158 -0.433761
H -0.088098 -0.241494 -1.516794
H -0.429112 -1.822958 1.083206
H -0.047796 -2.486346 -0.540357
H -2.342571 -2.208701 -1.315253
H -2.657305 -2.494777 0.426670
H 0.628388 1.374923 0.434663
H 2.336315 -1.048233 0.006434
H 2.337702 0.287118 -1.178443
H 3.023743 0.545810 1.821607
H 3.047545 1.884730 0.647406
H -3.801996 1.966195 0.367378
H -4.641986 -2.207962 -0.551689
H -6.257998 2.412473 0.497363
H -7.072455 -1.756811 -0.411669
H 4.815440 -1.190313 1.802725
H 4.804129 1.982832 -1.159476
H -7.915976 0.556783 0.113099
H 7.129810 -1.840335 1.101726
H 7.117229 1.335862 -1.865235
H 8.290971 -0.580695 -0.738554


