%chk=000127751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127751

1 1
 O  -3.5999998E-02  0.9602000     -1.5400000E-02
 N    4.771100       1.062100     -2.0099999E-02
 N   -4.856800       1.038100      2.0600000E-02
 N   8.9699998E-02  -4.460600      0.1129000    
 C    3.666800      0.3752000      1.0800000E-02
 C   -3.655900      0.3235000      1.5600000E-02
 C    2.319600       1.047100     -1.1200000E-02
 C   -2.408700      0.9867000     -3.3000000E-02
 C    3.689400      -1.123000      6.7199998E-02
 C   -3.655000      -1.087400      2.1400001E-02
 C    4.788800       2.562400     -5.6200001E-02
 C    2.299000       2.553400     -4.1900001E-02
 C   -4.827200       2.480700      0.2364000    
 C   -2.354800       2.499700     -5.9799999E-02
 C    6.127800      0.4155000     -2.0300001E-02
 C   -6.108300      0.3321000      0.2805000    
 C    1.191700      0.3097000      1.0400000E-02
 C   -1.207700      0.2449000     -7.4000000E-03
 C    3.547900       3.122600      0.6127000    
 C   -3.672000       3.103700     -0.5303000    
 C    5.021600      -1.814300      8.8399999E-02
 C   -4.950600      -1.862000      5.9500001E-02
 C    6.060900     -0.9718000     -0.6342000    
 C   -6.117400      -1.013500     -0.4295000    
 C    1.229600      -1.154300      4.4000000E-02
 C   -1.208500      -1.147700      2.8899999E-02
 C    2.536300      -1.808400      6.9600001E-02
 C   -2.445600      -1.803300      4.0500000E-02
 C   7.9300001E-02  -1.870200      5.3300001E-02
 C   8.5100003E-02  -3.300800      8.6300001E-02
 H    4.859700       2.856100      -1.108800    
 H    5.685000       2.903400      0.4729000    
 H    1.420700       2.952900      0.4780000    
 H    2.242700       2.887700      -1.085300    
 H   -4.736200       2.692100       1.309200    
 H   -5.765600       2.932300     -0.1057000    
 H   -2.121200       2.855400      0.9512000    
 H   -1.560300       2.844200     -0.7318000    
 H    6.468300      0.3894000       1.020300    
 H    6.804000       1.049800     -0.6033000    
 H   -6.237100      0.1966000       1.361600    
 H   -6.956800      0.9274000     -7.5999998E-02
 H    3.545400       4.215400      0.5301000    
 H    3.551600       2.882100       1.684100    
 H   -3.800900       2.921000      -1.605200    
 H   -3.658300       4.189300     -0.3843000    
 H    4.963100      -2.800500     -0.3871000    
 H    5.329000      -1.969900       1.129900    
 H   -5.131100      -2.186400       1.091600    
 H   -4.875900      -2.758300     -0.5673000    
 H    7.043000      -1.453400     -0.5662000    
 H    5.810900     -0.9027000      -1.701300    
 H   -7.062600      -1.535700     -0.2451000    
 H   -6.036100     -0.8595000      -1.513400    
 H    2.586200      -2.892500      0.1006000    
 H   -2.497500      -2.889900      6.7400001E-02


%chk=000127751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127751

1 1
O -0.007927 0.913679 0.039707
N 4.811712 1.095394 -0.029910
N -4.832239 1.025592 0.089026
N 0.035479 -4.554999 0.088762
C 3.650042 0.358129 0.007002
C -3.657415 0.303136 0.077218
C 2.370717 1.022337 0.016150
C -2.387294 0.985723 0.049610
C 3.715823 -1.099077 0.035112
C -3.698524 -1.155296 0.107803
C 4.813271 2.581448 0.029380
C 2.291327 2.538477 0.016959
C -4.825083 2.509894 0.168358
C -2.309014 2.502961 0.012027
C 6.159966 0.477059 -0.158805
C -6.164977 0.368885 0.163966
C 1.221999 0.230533 0.035912
C -1.226310 0.210080 0.056490
C 3.543743 3.133815 0.691493
C -3.608281 3.104141 -0.556659
C 5.072848 -1.778543 0.055135
C -5.036025 -1.874213 0.172091
C 6.098643 -0.943226 -0.737277
C -6.148642 -1.027655 -0.474326
C 1.249709 -1.208807 0.047918
C -1.230964 -1.227887 0.073520
C 2.539082 -1.833988 0.041628
C -2.509459 -1.871726 0.094360
C 0.015582 -1.923109 0.067032
C 0.026202 -3.359143 0.079799
H 4.920800 2.979728 -1.001033
H 5.712094 2.889596 0.594768
H 1.374506 2.866641 0.534716
H 2.212987 2.913642 -1.023838
H -4.828985 2.820892 1.234092
H -5.763347 2.873908 -0.285294
H -2.132595 2.892251 1.035499
H -1.438560 2.816950 -0.589033
H 6.643293 0.468717 0.840108
H 6.763856 1.136467 -0.809617
H -6.481120 0.301922 1.226224
H -6.887496 1.024308 -0.353787
H 3.545752 4.234401 0.607002
H 3.546091 2.883499 1.768543
H -3.685593 2.891993 -1.638937
H -3.613238 4.200926 -0.431573
H 4.993568 -2.799704 -0.355322
H 5.423468 -1.884890 1.102482
H -5.299000 -2.070088 1.232149
H -4.957681 -2.860887 -0.316525
H 7.103291 -1.396511 -0.678545
H 5.812892 -0.904776 -1.804757
H -7.134330 -1.502074 -0.326913
H -5.980455 -0.938376 -1.563428
H 2.590424 -2.928604 0.050234
H -2.544511 -2.966947 0.109101


