%chk=000101699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101699

0 1
 O   0.5651000      -3.155400     -0.6779000    
 N   -1.784300       1.865900     -0.3465000    
 N   0.6934000     -0.8800000     -0.1747000    
 C   -2.211200     -0.6402000     -8.2900003E-02
 C   -1.365200      0.4914000     -0.7269000    
 C   -1.531400      -2.003900     -0.3885000    
 C   -2.349600     -0.4119000       1.439500    
 C   9.3699999E-02  0.3080000     -0.4665000    
 C  -5.9999999E-02  -2.104900      5.0799999E-02
 C   -3.618300     -0.6663000     -0.7263000    
 C   -2.808800       1.010300       1.759400    
 C   -1.901900       2.053900       1.107300    
 C    1.028600       1.313100     -0.4247000    
 C  -0.8736000       2.872800     -0.9544000    
 C   0.6295000       2.740900     -0.5802000    
 C    2.042300     -0.6694000      4.1800000E-02
 C    2.278700      0.7065000     -0.1280000    
 C   -4.463600      -1.756600     -0.1147000    
 C    3.072500      -1.555500      0.3941000    
 C    3.586500       1.201600      5.2299999E-02
 C    4.361000      -1.038800      0.5582000    
 C    4.616700      0.3184000      0.3886000    
 H   -1.491100      0.4125000      -1.817500    
 H   -1.590600      -2.205200      -1.467900    
 H   -2.050400      -2.838200      9.5299996E-02
 H   -1.372100     -0.5478000       1.920800    
 H   -2.995000      -1.142800       1.932800    
 H   1.6200000E-02  -2.324200       1.122100    
 H   -3.535000     -0.8452000      -1.806000    
 H   -4.131600      0.2955000     -0.6200000    
 H   -3.845800       1.159500       1.438300    
 H   -2.799700       1.155600       2.846200    
 H   -2.324500       3.045900       1.308700    
 H  -0.9241000       2.022200       1.603000    
 H   -1.221200       3.886100     -0.7178000    
 H  -0.9666000       2.785100      -2.045700    
 H   0.8121000       3.260800      0.3681000    
 H    1.242500       3.226500      -1.347400    
 H   -4.055700      -2.761900     -0.2321000    
 H   -4.709000      -1.583400      0.9353000    
 H   -5.429300      -1.772900     -0.6361000    
 H   8.1299998E-02  -3.975500     -0.4807000    
 H    2.886300      -2.614500      0.5393000    
 H    3.798500       2.260900     -6.3199997E-02
 H    5.174000      -1.708300      0.8271000    
 H    5.625400      0.6984000      0.5260000    


%chk=000101699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101699

0 1
O 0.648348 -3.229090 -0.782176
N -1.802995 1.834800 -0.343655
N 0.708941 -0.936529 -0.233493
C -2.214455 -0.685682 -0.092451
C -1.392906 0.457637 -0.771961
C -1.498469 -2.019938 -0.465329
C -2.235896 -0.457998 1.446291
C 0.088666 0.291680 -0.535708
C -0.028706 -2.164893 -0.004078
C -3.649728 -0.682215 -0.709707
C -2.735361 0.960596 1.800591
C -1.832555 2.015719 1.133575
C 1.008263 1.329872 -0.460932
C -0.935750 2.842281 -1.023150
C 0.588009 2.769914 -0.643069
C 2.065602 -0.682984 0.057506
C 2.280315 0.738128 -0.085010
C -4.687432 -1.603043 -0.032856
C 3.102051 -1.568323 0.418485
C 3.575817 1.264551 0.156018
C 4.376879 -1.014252 0.663396
C 4.611610 0.385688 0.533244
H -1.607364 0.401239 -1.861681
H -1.491743 -2.126453 -1.568722
H -2.066097 -2.878395 -0.056167
H -1.211004 -0.575185 1.853575
H -2.859850 -1.230733 1.933838
H 0.031354 -2.438490 1.073918
H -3.556059 -0.971639 -1.777299
H -4.022161 0.359283 -0.710470
H -3.780654 1.100123 1.466953
H -2.715573 1.107920 2.897299
H -2.215083 3.034899 1.333080
H -0.814668 1.943937 1.589621
H -1.329964 3.850384 -0.796294
H -1.042969 2.679760 -2.112785
H 0.783825 3.342924 0.286986
H 1.173088 3.270718 -1.440267
H -4.342480 -2.652668 0.024293
H -4.926397 -1.269863 0.993483
H -5.632267 -1.599314 -0.606767
H 0.262760 -4.102884 -0.514266
H 2.926977 -2.646038 0.476585
H 3.768725 2.338257 0.049868
H 5.205303 -1.674182 0.945190
H 5.616751 0.779484 0.722898


