%chk=000178101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178101

0 1
 O    5.543100     -0.3370000      0.4977000    
 N    1.712400       1.936600     -8.7099999E-02
 N  -0.3419000       3.155800      0.3496000    
 N   -5.692200     -0.4607000     -0.3130000    
 N   -5.654900      -2.631500      0.1545000    
 C    3.742600       1.120400      -1.174700    
 C    3.497900     -0.3073000     -0.7517000    
 C    3.151100       2.138900     -0.2041000    
 C    4.411900     -0.9594000      6.2300000E-02
 C    2.347500     -0.9446000      -1.192700    
 C   -3.375100      0.2572000      0.1536000    
 C   -1.360400       2.182300      0.2839000    
 C   -4.417100     -0.7380000      8.5900001E-02
 C    4.170200      -2.279000      0.4441000    
 C   -2.093600     -0.1018000      0.5709000    
 C   -3.649400       1.578800     -0.1987000    
 C   -1.086200      0.8609000      0.6362000    
 C   -2.642000       2.541300     -0.1335000    
 C    2.106000      -2.264400     -0.8110000    
 C    3.017300      -2.931600      7.4999998E-03
 C    1.010000       2.986900      0.1755000    
 C   -4.416200      -2.081100      0.3696000    
 C   -6.399900      -1.629100     -0.2555000    
 C    6.419100      -1.093700       1.330700    
 H    4.818100       1.302400      -1.290800    
 H    3.314800       1.276000      -2.174400    
 H    3.609700       2.023700      0.7853000    
 H    3.394500       3.145000     -0.5679000    
 H    1.630400     -0.4374000      -1.832100    
 H    4.831600      -2.860400       1.077100    
 H   -1.847000      -1.120400      0.8580000    
 H   -4.629700       1.907700     -0.5298000    
 H  -0.1090000      0.5508000      0.9930000    
 H   -2.867700       3.567700     -0.4117000    
 H    1.208000      -2.772200      -1.150600    
 H    2.827900      -3.959200      0.3043000    
 H  -0.6893000       4.109900      0.4049000    
 H    1.515800       3.962600      0.2915000    
 H   -6.071200      0.4306000     -0.6022000    
 H   -3.598200      -2.695900      0.7174000    
 H   -7.445500      -1.681000     -0.5237000    
 H    7.264300     -0.4445000       1.582400    
 H    6.831300      -1.960000      0.8021000    
 H    5.939300      -1.370100       2.275800    


%chk=000178101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178101

0 1
O 5.297816 -0.291156 0.841272
N 1.743960 2.042482 0.052827
N -0.310321 3.248066 -0.165606
N -5.757452 -0.492532 0.466108
N -5.655091 -2.725231 0.134292
C 3.819288 1.168842 -1.022782
C 3.541152 -0.304088 -0.785859
C 3.215161 2.096764 0.071627
C 4.300171 -1.035751 0.174612
C 2.523308 -0.993015 -1.481446
C -3.367450 0.258129 0.070409
C -1.287183 2.226288 -0.081151
C -4.412511 -0.767274 0.149579
C 4.050319 -2.406551 0.420163
C -1.993870 -0.104462 0.148713
C -3.673798 1.639895 -0.088916
C -0.962868 0.848252 0.071678
C -2.656556 2.606712 -0.159205
C 2.257179 -2.363479 -1.247321
C 3.024238 -3.066872 -0.295216
C 1.083172 3.152224 -0.112041
C -4.385949 -2.159472 -0.050323
C -6.461929 -1.692397 0.449522
C 6.134643 -0.996582 1.812495
H 4.911843 1.341366 -1.028298
H 3.417561 1.474181 -2.006362
H 3.570312 1.741881 1.057289
H 3.612033 3.131014 -0.079818
H 1.926548 -0.439786 -2.215977
H 4.638490 -2.963602 1.155713
H -1.725444 -1.157072 0.291122
H -4.714875 1.970554 -0.192726
H 0.089338 0.562512 0.139113
H -2.923761 3.664123 -0.287462
H 1.462170 -2.871864 -1.803123
H 2.830656 -4.128273 -0.103264
H -0.674254 4.194439 -0.286441
H 1.569626 4.145902 -0.226630
H -6.130165 0.422038 0.716140
H -3.539009 -2.777565 -0.339218
H -7.524752 -1.763955 0.667489
H 6.837370 -0.239618 2.191735
H 6.697865 -1.822471 1.335529
H 5.531321 -1.397395 2.650358


