%chk=000026960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026960

0 1
 O   6.1299998E-02  -1.639200      0.6442000    
 N    4.177500      3.1199999E-02 -3.1700000E-02
 N   -1.302000      -1.641900      0.3751000    
 N   -5.352800     -0.4419000      0.1883000    
 C    2.752500     -0.1341000     -0.3165000    
 C    1.934400     -0.1690000      0.9759000    
 C    4.412600       1.280800      0.6906000    
 C    4.953000      3.5000001E-03  -1.271300    
 C   0.4653000     -0.3624000      0.6917000    
 C    5.855600       1.440500       1.044500    
 C    4.726800      -1.266500      -2.025500    
 C  -0.5381000      0.5013000      0.4716000    
 C   -1.637400     -0.3524000      0.2762000    
 C   -2.994700      3.4699999E-02 -1.3000000E-03
 C   -3.273300       1.205000     -0.6931000    
 C   -4.055800     -0.7483000      0.4152000    
 C   -4.595300       1.554200     -0.9458000    
 C   -5.589400      0.7045000     -0.4882000    
 H    2.383300      0.6628000     -0.9767000    
 H    2.556500      -1.086100     -0.8221000    
 H    1.998300      0.7677000       1.538300    
 H    2.286700     -0.9726000       1.634700    
 H    4.063000       2.153300      0.1243000    
 H    3.892100       1.284000       1.651700    
 H    4.725600      0.8641000      -1.913400    
 H    6.025400      3.4600001E-02  -1.051700    
 H    6.271300      0.5357000       1.502200    
 H    6.475500       1.715800      0.1853000    
 H    5.972100       2.250000       1.774700    
 H    4.800500      -2.150300      -1.381800    
 H    3.763800      -1.286900      -2.545900    
 H    5.492000      -1.375500      -2.803200    
 H  -0.4938000       1.580500      0.4568000    
 H   -2.484800       1.859400      -1.054800    
 H   -3.914300      -1.672500      0.9679000    
 H   -4.840000       2.461700      -1.485800    
 H   -6.636400      0.9313000     -0.6602000    


%chk=000026960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026960

0 1
O 0.124939 -1.317072 -0.571597
N 4.256206 0.212395 -0.252448
N -1.315854 -1.299020 -0.812960
N -5.471058 -0.415603 -0.916736
C 2.841362 0.039453 -0.655108
C 1.913842 -0.071217 0.589971
C 4.604360 1.631631 0.030948
C 5.216638 -0.452281 -1.175815
C 0.466114 -0.217802 0.236832
C 5.773497 1.779632 1.023686
C 5.238136 -1.984244 -1.016944
C -0.683178 0.498449 0.516852
C -1.762602 -0.198850 -0.144167
C -3.198069 0.140705 -0.162209
C -3.700134 1.282692 0.514126
C -4.135333 -0.673546 -0.862704
C -5.081932 1.562328 0.467525
C -5.928338 0.691792 -0.255794
H 2.484502 0.871513 -1.309774
H 2.740523 -0.889575 -1.241571
H 2.028985 0.822580 1.228611
H 2.256399 -0.938770 1.183953
H 4.834396 2.189213 -0.912453
H 3.711499 2.119027 0.466680
H 5.010435 -0.183522 -2.242813
H 6.224562 -0.062036 -0.945615
H 5.526611 1.283676 1.978456
H 6.703069 1.324717 0.636617
H 5.981676 2.848116 1.220043
H 5.500490 -2.254258 0.020738
H 4.258314 -2.439177 -1.250049
H 5.983554 -2.432243 -1.700293
H -0.747129 1.400801 1.118934
H -3.025610 1.943356 1.069020
H -3.789260 -1.564562 -1.396710
H -5.497357 2.435525 0.979957
H -7.007255 0.873179 -0.316987


