%chk=000063808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063808

0 1
 O    1.094200       1.466600      -1.948800    
 N    1.093000     -0.2141000     -0.3197000    
 N   -1.245900       1.185000       1.384900    
 N   -1.398500       1.917500     -0.7079000    
 N    3.156700     -0.9263000      0.6414000    
 C  -0.3663000     -0.3280000     -0.3689000    
 C  -0.8098000     -0.7685000      -1.780600    
 C   -1.022700      0.9705000      7.7799998E-02
 C    1.868800      -1.025400      0.5220000    
 C    1.688800      0.7493000      -1.148900    
 C   -2.152200      -1.463200      -1.794700    
 C    3.155900      0.8753000      -1.018500    
 C   -1.838900       2.418500       1.471200    
 C   -1.923000       2.855100      0.1519000    
 C    3.825900      3.7300002E-02 -0.1239000    
 C    1.194300      -2.061400       1.326300    
 C   -2.204700      -2.838600      -1.641100    
 C   -3.302900     -0.7104000      -1.960600    
 C   -2.294900       3.167100       2.556800    
 C    3.857100       1.821700      -1.774600    
 C   -2.493000       4.110400     -0.1190000    
 C    5.214200      0.1588000      5.7999999E-03
 C   0.7347000      -1.752600       2.602000    
 C    1.022800      -3.338000      0.8019000    
 C   -3.443400      -3.479800      -1.653800    
 C   -4.541600      -1.351700      -1.973200    
 C   -2.859400       4.414100       2.268800    
 C    5.239800       1.931200      -1.634900    
 C   -2.957700       4.879300      0.9554000    
 C    5.918200       1.101100     -0.7454000    
 C   -4.611700      -2.736300      -1.819800    
 C   9.6400000E-02  -2.732200       3.362700    
 C   0.3844000      -4.317600       1.562500    
 C  -7.8800000E-02  -4.014600       2.842900    
 H  -0.7161000      -1.095500      0.3261000    
 H  -0.8410000      6.6299997E-02  -2.491800    
 H  -7.0400000E-02  -1.467300      -2.198000    
 H   -1.030400      0.5709000       2.159300    
 H   -1.301000      -3.426400      -1.510400    
 H   -3.262700      0.3667000      -2.089100    
 H   -2.217400       2.803800       3.575300    
 H    3.346300       2.479400      -2.472300    
 H   -2.574000       4.480600      -1.136000    
 H    5.757700     -0.4836000      0.6947000    
 H   0.8697000     -0.7575000       3.016900    
 H    1.378500      -3.582400     -0.1954000    
 H   -3.498000      -4.557800      -1.533800    
 H   -5.451300     -0.7732000      -2.104100    
 H   -3.228400       5.032300       3.083400    
 H    5.788200       2.664300      -2.219300    
 H   -3.401400       5.852800      0.7631000    
 H    6.995500       1.186400     -0.6366000    
 H   -5.576200      -3.235600      -1.829900    
 H  -0.2639000      -2.496300       4.359700    
 H   0.2467000      -5.315800       1.157100    
 H  -0.5762000      -4.777300       3.434900    


%chk=000063808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063808

0 1
O 1.080690 1.490137 -1.936055
N 0.963598 -0.180964 -0.288812
N -0.478419 1.985516 0.958653
N -2.223789 1.735855 -0.483591
N 2.930942 -0.941319 0.886542
C -0.533582 -0.150540 -0.454756
C -0.994150 -0.571267 -1.894711
C -1.074148 1.205171 -0.040773
C 1.630660 -1.042023 0.624790
C 1.693021 0.768424 -1.095709
C -2.126841 -1.591459 -1.909869
C 3.135667 0.841661 -0.818761
C -1.288681 3.115320 1.155149
C -2.385958 2.937673 0.244568
C 3.699914 0.005719 0.195923
C 0.889518 -2.120480 1.349366
C -1.945744 -2.860680 -2.518438
C -3.388899 -1.287408 -1.332342
C -1.182491 4.236643 2.002168
C 3.952464 1.760502 -1.528605
C -3.414205 3.903825 0.179986
C 5.088465 0.112162 0.491296
C 1.163138 -2.302274 2.731216
C 0.005640 -3.021214 0.696959
C -2.992591 -3.811325 -2.543135
C -4.433427 -2.237856 -1.352075
C -2.220096 5.191170 1.922147
C 5.321132 1.853164 -1.228678
C -3.317652 5.027637 1.026851
C 5.886360 1.027326 -0.213913
C -4.240416 -3.504148 -1.953970
C 0.538475 -3.339685 3.453416
C -0.609934 -4.065334 1.420002
C -0.354131 -4.223134 2.801187
H -0.925554 -0.887260 0.266916
H -1.289380 0.346007 -2.429866
H -0.117070 -0.983109 -2.424914
H 0.414206 1.793402 1.409651
H -0.983265 -3.100555 -2.989664
H -3.542187 -0.293219 -0.895958
H -0.342518 4.372222 2.691438
H 3.485044 2.385417 -2.296423
H -4.251252 3.775412 -0.512821
H 5.502910 -0.540685 1.265214
H 1.878793 -1.632625 3.218152
H -0.190822 -2.935248 -0.375945
H -2.836111 -4.783916 -3.024046
H -5.403186 -1.987153 -0.906615
H -2.180705 6.079277 2.562541
H 5.956238 2.560033 -1.772574
H -4.099114 5.794676 0.997621
H 6.955161 1.104715 0.013939
H -5.054535 -4.237705 -1.971941
H 0.750666 -3.462747 4.520991
H -1.288598 -4.749437 0.899883
H -0.839250 -5.029396 3.362196


