%chk=000174643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174643

0 1
 O    5.746100       1.057100      6.6799998E-02
 O    2.114100      -3.212400     -0.1630000    
 O    4.571500     -0.9021000     -4.4300001E-02
 N   -1.084400       2.611100      0.1294000    
 N   -1.881800     -9.3699999E-02  4.4700000E-02
 N    1.785000     -0.4410000     -2.7500000E-02
 N   6.8099998E-02  -2.045900     -0.1089000    
 N    3.501200       1.180500      6.7100003E-02
 C   -2.448900       2.304800     -0.2428000    
 C  -0.1297000       1.612100      6.7400001E-02
 C  -0.5304000      0.2753000      8.9999996E-03
 C   -2.787800      0.8346000     -4.1999999E-02
 C   0.4589000     -0.7002000     -3.8300000E-02
 C   -4.229200      0.4431000      1.3500000E-02
 C    1.233500       1.908100      0.1014000    
 C    2.138600      0.8596000      4.6100002E-02
 C   -5.174800       1.179400     -0.6944000    
 C   -4.617000     -0.6573000      0.7724000    
 C   -6.519400      0.8121000     -0.6431000    
 C   -5.961600      -1.024600      0.8237000    
 C   -6.913000     -0.2900000      0.1159000    
 C   0.8879000      -3.174900     -0.1647000    
 C    4.592200      0.3209000      2.2700001E-02
 C   7.6700002E-02  -4.444700     -0.2278000    
 C    6.969000      0.3122000      2.9999999E-02
 C    8.135200       1.275800      8.6599998E-02
 H   -2.585100       2.544000      -1.303500    
 H   -3.129100       2.929000      0.3454000    
 H  -0.7850000       3.578800      0.1437000    
 H    1.569000       2.939800      0.1616000    
 H   -4.896800       2.034600      -1.303100    
 H   -3.893400      -1.239500       1.336600    
 H  -0.9375000      -2.204800     -0.1180000    
 H    3.726200       2.171100      0.1224000    
 H   -7.260000       1.382400      -1.196200    
 H   -6.268400      -1.881800       1.415900    
 H   -7.959900     -0.5761000      0.1556000    
 H  -0.5366000      -4.537000      0.6731000    
 H   0.7445000      -5.308200     -0.2930000    
 H  -0.5694000      -4.429400      -1.110100    
 H    7.008200     -0.3672000      0.8887000    
 H    7.014000     -0.2693000     -0.8975000    
 H    9.087700      0.7391000      6.0199998E-02
 H    8.099300       1.974100     -0.7561000    
 H    8.093600       1.877900       1.000200    


%chk=000174643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174643

0 1
O 5.838642 1.057536 0.039815
O 1.948980 -3.278422 0.879708
O 4.634901 -0.722133 -0.931098
N -1.073129 2.648093 -0.188327
N -1.835249 -0.064231 -0.021336
N 1.858273 -0.401321 0.125229
N 0.064304 -1.998667 0.234899
N 3.592873 1.212593 0.011149
C -2.513639 2.356597 -0.074856
C -0.082981 1.688652 -0.077944
C -0.488096 0.321823 0.019224
C -2.794951 0.841994 -0.082697
C 0.531905 -0.680330 0.128765
C -4.210450 0.414883 -0.127940
C 1.299025 1.989614 -0.091634
C 2.213254 0.906453 0.003877
C -5.274416 1.363461 -0.115079
C -4.542829 -0.971042 -0.178239
C -6.620417 0.939752 -0.149491
C -5.884476 -1.390740 -0.213984
C -6.933402 -0.436923 -0.199667
C 0.742417 -3.196406 0.545219
C 4.656610 0.376553 -0.348623
C -0.161042 -4.428307 0.410480
C 7.103821 0.355073 -0.311061
C 8.247254 1.225316 0.201757
H -3.056094 2.829802 -0.919509
H -2.935752 2.794166 0.858952
H -0.796580 3.624164 -0.287943
H 1.655302 3.018849 -0.209607
H -5.065346 2.437467 -0.072094
H -3.725537 -1.697834 -0.190842
H -0.957561 -2.040726 0.120602
H 3.870240 2.148306 0.313002
H -7.424425 1.683927 -0.136767
H -6.119424 -2.460146 -0.254743
H -7.978288 -0.764876 -0.227888
H -1.215808 -4.223806 0.669823
H 0.226781 -5.224184 1.064128
H -0.127953 -4.795066 -0.632475
H 7.090114 -0.644358 0.159749
H 7.138751 0.216837 -1.407519
H 9.215194 0.744214 -0.029171
H 8.231851 2.220735 -0.274900
H 8.178654 1.360057 1.294856


