%chk=000063702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063702

0 1
 O    1.060100       2.221000      -1.697000    
 N   0.2671000      0.5840000     -0.2227000    
 N   -3.119700       2.135100     -0.1241000    
 N    1.799900     -0.6213000       1.138100    
 C   -1.122800      0.8084000     -0.6172000    
 C   -1.741100       1.878600      0.2732000    
 C   0.5921000     -0.3695000      0.7401000    
 C   -3.719500       3.163400      0.7284000    
 C   -3.910700      0.9044000     -6.7299999E-02
 C    1.257500       1.360100     -0.8442000    
 C  -0.5314000      -1.164200       1.362500    
 C    2.641800       1.086000     -0.4031000    
 C    2.853700      0.1064000      0.5703000    
 C  -0.7925000      -2.408800      0.5747000    
 C   -2.914300       4.451000      0.6849000    
 C   -5.333700       1.143900     -0.5426000    
 C    3.716500       1.795400     -0.9510000    
 C    4.162400     -0.1558000      0.9916000    
 C   0.2748000      -3.194300      0.1460000    
 C   -2.101500      -2.776800      0.2735000    
 C    5.014800       1.523100     -0.5218000    
 C    5.238000      0.5488000      0.4486000    
 C   3.1399999E-02  -4.354900     -0.5884000    
 C   -2.344800      -3.937400     -0.4608000    
 C   -1.278300      -4.726500     -0.8917000    
 H   -1.140000       1.150900      -1.660100    
 H   -1.634700     -0.1483000     -0.6097000    
 H   -1.676000       1.600600       1.332400    
 H   -1.126300       2.777000      0.1482000    
 H   -4.719100       3.427600      0.3683000    
 H   -3.819300       2.826900       1.768000    
 H   -3.531600      0.1505000     -0.7606000    
 H   -3.919600      0.4643000      0.9376000    
 H   -1.437200     -0.5725000       1.501400    
 H  -0.2215000      -1.465200       2.372400    
 H   -1.986800       4.385200       1.262100    
 H   -2.676800       4.748900     -0.3423000    
 H   -3.499700       5.263200       1.131100    
 H   -5.937300       1.678900      0.1968000    
 H   -5.359200       1.694400      -1.489400    
 H   -5.831400      0.1821000     -0.7118000    
 H    3.563200       2.559000      -1.708400    
 H    4.352200     -0.9138000       1.747900    
 H    1.305600      -2.956200      0.3837000    
 H   -2.942200      -2.174000      0.6058000    
 H    5.852300       2.070900     -0.9439000    
 H    6.249400      0.3368000      0.7830000    
 H   0.8611000      -4.973000     -0.9188000    
 H   -3.364600      -4.227500     -0.6961000    
 H   -1.467800      -5.631100      -1.462100    


%chk=000063702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063702

0 1
O 0.859781 2.550133 -0.964056
N 0.332452 0.528463 0.112173
N -3.192482 1.963457 0.403915
N 2.005978 -0.822637 1.200883
C -1.094599 0.785066 -0.230998
C -1.791666 1.711162 0.801602
C 0.740835 -0.584156 0.868623
C -3.490819 3.385219 0.097835
C -4.208714 1.276152 1.237880
C 1.265429 1.527639 -0.329367
C -0.297273 -1.599126 1.323815
C 2.669016 1.252700 0.014195
C 2.992251 0.082580 0.772554
C -0.735626 -2.581186 0.230469
C -2.766035 3.886740 -1.166863
C -5.514026 0.968835 0.477277
C 3.693943 2.145769 -0.395682
C 4.351212 -0.173551 1.108923
C 0.231432 -3.253759 -0.559782
C -2.108406 -2.863800 0.020340
C 5.030732 1.878451 -0.059991
C 5.356718 0.714689 0.695220
C -0.169052 -4.187439 -1.540330
C -2.510929 -3.801087 -0.958522
C -1.541430 -4.464932 -1.743874
H -1.110902 1.291163 -1.208680
H -1.628560 -0.171079 -0.327949
H -1.737704 1.252709 1.813089
H -1.223417 2.659128 0.851636
H -4.581371 3.476532 -0.056650
H -3.233805 4.048385 0.963137
H -3.768653 0.317082 1.574276
H -4.445699 1.856834 2.166152
H -1.182841 -1.095986 1.752116
H 0.192535 -2.157288 2.140857
H -1.667802 3.802498 -1.076590
H -3.081238 3.297143 -2.046044
H -3.009439 4.950074 -1.350179
H -6.026241 1.890382 0.147694
H -5.296536 0.361919 -0.419108
H -6.216087 0.411840 1.125798
H 3.408965 3.031736 -0.972415
H 4.577185 -1.071894 1.691329
H 1.295332 -3.044704 -0.397475
H -2.867228 -2.353111 0.627988
H 5.824658 2.563026 -0.376675
H 6.401645 0.512729 0.955678
H 0.587968 -4.700067 -2.144607
H -3.576234 -4.009361 -1.108683
H -1.850750 -5.189374 -2.505433


