%chk=000125862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125862

0 1
 O    2.060600       2.433800      0.6241000    
 N   -2.903100      8.6400002E-02  0.2844000    
 N    3.525800     -0.7259000      0.1385000    
 N    2.415900      -2.477900     -0.9737000    
 N    1.742600      -2.064700       1.063700    
 N    1.441300      -3.380000     -0.7833000    
 N   8.6800002E-02  -3.715600       1.164500    
 C   -2.624400       1.491300      0.5812000    
 C   -2.040000       1.659400       2.000400    
 C   -1.484000       2.016400     -0.2443000    
 C   -4.021200     -0.4002000       1.104700    
 C   -3.178500     -9.1499999E-02  -1.148300    
 C  -0.5155000       1.504300       1.877500    
 C  -0.2912000       2.024300      0.4923000    
 C   -4.294000      -1.882000      0.8421000    
 C   -3.423500      -1.563400      -1.484500    
 C   -4.549500      -2.145300     -0.6375000    
 C   -1.507000       2.429800      -1.567000    
 C   0.9005000       2.434700     -8.0799997E-02
 C  -0.3115000       2.857400      -2.148400    
 C   0.8835000       2.858700      -1.411300    
 C    3.269100       2.225500     -0.1081000    
 C    4.270300       1.510000      0.7913000    
 C    3.777500      0.1462000       1.260900    
 C    2.579800      -1.709300      0.1284000    
 C    3.123400      -2.434200      -2.230600    
 C    1.066400      -3.088300      0.4639000    
 H   -3.512700       2.124300      0.4585000    
 H   -2.254700       2.685900       2.335400    
 H   -2.442200       1.011100       2.781000    
 H   -3.818700     -0.3115000       2.174900    
 H   -4.931800      0.1791000      0.9010000    
 H   -4.035500      0.5131000      -1.471700    
 H   -2.316400      0.1609000      -1.767300    
 H   5.7000001E-03   2.093600       2.637000    
 H  -0.2142000      0.4537000       1.941200    
 H   -5.159800      -2.209300       1.429000    
 H   -3.435900      -2.478800       1.176900    
 H   -2.504500      -2.139100      -1.312700    
 H   -3.670600      -1.666000      -2.547300    
 H   -5.502300      -1.688200     -0.9316000    
 H   -4.638700      -3.222000     -0.8183000    
 H   -2.427100       2.454700      -2.141000    
 H  -0.3067000       3.200800      -3.179400    
 H    1.775600       3.227800      -1.910100    
 H    3.112700       1.624700      -1.012500    
 H    3.674400       3.201400     -0.3991000    
 H    5.219600       1.399900      0.2538000    
 H    4.464300       2.126300       1.677500    
 H    2.874100      0.2711000       1.870200    
 H    4.536200     -0.3118000       1.905400    
 H    4.138300     -0.6005000     -0.6638000    
 H    4.179400      -2.640600      -2.040300    
 H    2.994000      -1.440500      -2.666600    
 H    2.714600      -3.189900      -2.906600    
 H  -0.4530000      -4.480900      0.7731000    
 H  -0.1569000      -3.447000       2.112500    


%chk=000125862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125862

0 1
O 2.087911 2.413647 0.442360
N -2.881803 -0.124902 0.373017
N 3.944864 -0.805693 0.209236
N 2.762972 -2.711198 -0.739903
N 1.532840 -1.178366 0.355870
N 1.412900 -3.182312 -0.849346
N -0.627998 -2.257206 0.036533
C -2.552511 1.283019 0.851382
C -1.787780 1.268719 2.215753
C -1.557108 2.009214 -0.061388
C -3.929431 -0.722516 1.264305
C -3.384995 -0.113748 -1.038218
C -0.271327 1.304808 1.865793
C -0.264944 1.973090 0.509163
C -4.296524 -2.159674 0.846597
C -3.778245 -1.518229 -1.539423
C -4.811182 -2.189617 -0.608964
C -1.776786 2.640985 -1.307569
C 0.836527 2.501792 -0.196350
C -0.670669 3.186990 -1.999394
C 0.636745 3.105558 -1.462114
C 3.278161 2.212368 -0.406514
C 4.371292 1.668678 0.519609
C 3.991176 0.313947 1.164512
C 2.786693 -1.524237 -0.037624
C 3.851890 -3.472533 -1.331749
C 0.737450 -2.211544 -0.157055
H -3.513089 1.851243 0.929301
H -2.059514 2.184346 2.774618
H -2.044998 0.403740 2.848742
H -3.558537 -0.722590 2.302430
H -4.854678 -0.088487 1.242120
H -4.274682 0.565559 -1.121172
H -2.592418 0.296350 -1.683364
H 0.322947 1.861930 2.611762
H 0.178047 0.297126 1.776756
H -5.064420 -2.550263 1.541937
H -3.403463 -2.806837 0.949645
H -2.868401 -2.145150 -1.607903
H -4.180003 -1.424754 -2.566925
H -5.772086 -1.637091 -0.665574
H -5.015051 -3.227279 -0.934414
H -2.782181 2.710947 -1.736771
H -0.821448 3.680665 -2.966146
H 1.481709 3.528727 -2.015869
H 3.037001 1.486604 -1.208573
H 3.592705 3.172919 -0.863622
H 5.316125 1.577166 -0.053508
H 4.548755 2.402895 1.329387
H 2.987596 0.400531 1.610435
H 4.710456 0.083208 1.976493
H 4.824842 -1.174091 -0.149521
H 4.591834 -3.789445 -0.570659
H 4.372174 -2.901989 -2.126293
H 3.410658 -4.372430 -1.784057
H -1.115764 -3.055786 -0.362567
H -1.186936 -1.416605 0.263993


