%chk=000052598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052598

0 1
 O    2.419000      0.9802000      5.2999999E-02
 O   -2.414500     -0.9787000      5.2999999E-02
 N    8.831700      0.8073000     -1.0700000E-02
 N   -8.827300     -0.8083000     -1.0700000E-02
 N    8.215100      -1.445800     -7.7000000E-02
 N   -8.211500       1.445100     -7.7000000E-02
 C    4.114800     -0.5114000     -6.5000001E-03
 C   -4.110700      0.5122000     -6.5000001E-03
 C    2.884500      -1.220000     -1.4000000E-02
 C   -2.880700       1.221400     -1.4000000E-02
 C    1.889700     -0.2706000      2.2900000E-02
 C   -1.943300      0.2636000      2.2600001E-02
 C    3.774100      0.8367000      3.5500001E-02
 C   -3.769700     -0.8357000      3.5399999E-02
 C    5.476500     -0.8595000     -3.0400001E-02
 C   -5.472800      0.8598000     -3.0500000E-02
 C   0.4906000     -0.4839000      3.2400001E-02
 C  -0.4867000      0.4862000      3.2400001E-02
 C    2.718800      -2.687700     -5.2800000E-02
 C   -2.715600       2.689100     -5.2800000E-02
 C    4.701600       1.876800      5.6699999E-02
 C   -4.696700      -1.876200      5.6800000E-02
 C    6.433000      0.1649000     -1.0100000E-02
 C   -6.428800     -0.1650000     -1.0100000E-02
 C    6.049800       1.507800      3.3100002E-02
 C   -6.045100      -1.507800      3.3199999E-02
 C    7.846900     -0.1781000     -3.1900000E-02
 C   -7.842800      0.1775000     -3.1900000E-02
 H    5.757800      -1.907400     -6.3100003E-02
 H   -5.754400       1.907600     -6.3100003E-02
 H   0.1553000      -1.519500      2.9600000E-02
 H  -0.1660000       1.526400      2.9700000E-02
 H    2.185700      -3.039100      0.8369000    
 H    2.148500      -2.988400     -0.9380000    
 H    3.680400      -3.208600     -8.8200003E-02
 H   -2.144600       2.989900     -0.9375000    
 H   -3.677400       3.209700     -8.8900000E-02
 H   -2.183100       3.040700      0.8372000    
 H    4.395800       2.915800      9.0000004E-02
 H   -4.390600      -2.915100      9.0099998E-02
 H    6.767900       2.321300      4.9899999E-02
 H   -6.763000      -2.321400      5.0000001E-02
 H    9.812500      0.5472000     -2.8300000E-02
 H    8.639900       1.800500      2.3600001E-02
 H   -9.808200     -0.5485000     -2.8300000E-02
 H   -8.635200      -1.801400      2.3600001E-02
 H    9.240400      -1.483400     -8.7600000E-02
 H   -9.236900       1.482200     -8.7499999E-02


%chk=000052598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052598

0 1
O 2.392672 0.989105 -0.041849
O -2.392433 -0.989523 -0.043488
N 8.833854 0.779442 0.433467
N -8.833022 -0.777898 0.435556
N 8.288209 -1.395703 -0.478456
N -8.287218 1.397682 -0.475407
C 4.163865 -0.512240 -0.049519
C -4.162822 0.512475 -0.048652
C 2.929785 -1.280328 -0.051044
C -2.928354 1.279755 -0.049321
C 1.880988 -0.355416 -0.046692
C -1.880265 0.354092 -0.046909
C 3.792138 0.865921 -0.044739
C -3.791996 -0.865911 -0.045679
C 5.535385 -0.852131 -0.051906
C -5.534287 0.852894 -0.049762
C 0.454834 -0.519533 -0.047009
C -0.453716 0.518092 -0.046971
C 2.826067 -2.779815 -0.058451
C -2.823400 2.779079 -0.058335
C 4.716700 1.915889 -0.053761
C -4.716922 -1.915493 -0.055449
C 6.497612 0.185106 -0.047253
C -6.496935 -0.183922 -0.045874
C 6.083142 1.553527 -0.055500
C -6.083231 -1.552565 -0.056088
C 7.949407 -0.196499 -0.044046
C -7.948562 0.198285 -0.041432
H 5.890604 -1.886442 -0.069481
H -5.889107 1.887369 -0.066172
H 0.085629 -1.550630 -0.047894
H -0.084365 1.549121 -0.046742
H 3.308806 -3.215713 0.836823
H 1.778534 -3.122933 -0.076947
H 3.337978 -3.207044 -0.941220
H -1.775836 3.121667 -0.033162
H -3.296347 3.203427 -0.964136
H -3.344271 3.218431 0.813365
H 4.397735 2.961233 -0.073360
H -4.398327 -2.960917 -0.076451
H 6.831539 2.351582 -0.116257
H -6.832122 -2.350098 -0.117661
H 9.836754 0.606671 0.423320
H 8.498062 1.605858 0.922753
H -9.835918 -0.605090 0.425605
H -8.497190 -1.604600 0.924357
H 9.308297 -1.589554 -0.402700
H -9.307248 1.591699 -0.399272


