%chk=000052599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052599

0 1
 O    4.743500      0.6518000     -3.6699999E-02
 O   -4.739900     -0.6514000      3.2600001E-02
 N    11.15190      0.9337000      3.4600001E-02
 N   -11.14850     -0.9317000     -1.4700000E-02
 N    10.69790      -1.358600      3.3000000E-02
 N   -10.69370       1.360500     -3.1800002E-02
 C    6.540800     -0.7166000     -1.2200000E-02
 C   -6.536900      0.7175000      8.7000001E-03
 C    6.105300      0.6045000     -2.1500001E-02
 C   -6.101800     -0.6037000      2.1500001E-02
 C    5.364000      -1.510900     -2.2500001E-02
 C   -5.359800       1.511400      1.2500000E-02
 C    7.923900     -0.9678000      4.1999999E-03
 C   -7.919900      0.9690000     -3.8000001E-03
 C    4.304200     -0.6338000     -3.7200000E-02
 C   -4.319100      0.6296000      2.6799999E-02
 C    8.805200      0.1221000      1.0400000E-02
 C   -8.801600     -0.1206000     -3.0000000E-03
 C    6.956700       1.708100     -1.5799999E-02
 C   -6.953400      -1.707100      2.2500001E-02
 C    8.327700       1.435100      3.9999999E-04
 C   -8.324500      -1.433700      9.8000001E-03
 C    2.927800     -0.9571000     -4.8500001E-02
 C   -2.923800      0.9570000      3.8300000E-02
 C    10.24000     -0.1196000      2.7700000E-02
 C   -10.23640      0.1215000     -1.5300000E-02
 C    1.926200     -4.5699999E-02 -2.1299999E-02
 C   -1.941100      4.1099999E-02  1.1200000E-02
 C   0.5239000     -0.4129000     -1.7999999E-02
 C  -0.5387000      0.4080000      7.8999996E-03
 H    5.307000      -2.591100     -1.8900000E-02
 H   -5.300900       2.591400      5.7999999E-03
 H    8.273900      -1.995400      1.1900000E-02
 H   -8.269600       1.996700     -1.3500000E-02
 H    6.577900       2.723200     -2.3399999E-02
 H   -6.575000      -2.722400      3.2699998E-02
 H    8.986200       2.297700      4.6000001E-03
 H   -8.983200      -2.296000      1.0600000E-02
 H    2.671500      -2.014700     -7.0900001E-02
 H   -2.669600       2.014800      6.0400002E-02
 H    2.149200       1.018100      4.9999999E-03
 H   -2.166900      -1.021700     -1.5000000E-02
 H   0.3281000      -1.485000     -3.9799999E-02
 H  -0.3410000       1.479800      2.9600000E-02
 H    12.14880      0.7439000      4.5100000E-02
 H    10.88980       1.911300      3.1300001E-02
 H   -12.14540     -0.7416000     -2.5100000E-02
 H   -10.88670      -1.909200     -2.9000000E-03
 H    11.72330      -1.323100      4.3800000E-02
 H   -11.71920       1.325400     -4.0199999E-02


%chk=000052599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052599

0 1
O 4.717271 0.584129 -0.029582
O -4.716929 -0.582933 -0.037150
N 11.151929 0.952955 0.451564
N -11.152509 -0.957903 0.432102
N 10.807441 -1.254264 -0.482932
N -10.807092 1.256810 -0.483805
C 6.619746 -0.756387 -0.040348
C -6.619996 0.756803 -0.042205
C 6.124449 0.585744 -0.033626
C -6.124089 -0.585128 -0.042867
C 5.455205 -1.614188 -0.041065
C -5.455811 1.615115 -0.036770
C 8.017880 -0.969007 -0.044395
C -8.018180 0.968849 -0.046440
C 4.324118 -0.796543 -0.035466
C -4.324380 0.797959 -0.034419
C 8.880014 0.152166 -0.039259
C -8.879917 -0.152698 -0.048898
C 6.949474 1.715630 -0.042527
C -6.948640 -1.715257 -0.059239
C 8.342727 1.478018 -0.045713
C -8.342004 -1.478203 -0.062552
C 2.919875 -1.093801 -0.035140
C -2.920237 1.095689 -0.030828
C 10.361092 -0.095536 -0.036561
C -10.361065 0.094536 -0.046327
C 1.908624 -0.148510 -0.030640
C -1.908767 0.150626 -0.031435
C 0.507052 -0.472470 -0.031636
C -0.507230 0.474749 -0.029007
H 5.444137 -2.702611 -0.047477
H -5.445246 2.703563 -0.036949
H 8.464894 -1.966730 -0.063815
H -8.465737 1.966421 -0.060360
H 6.536673 2.727542 -0.061159
H -6.535447 -2.726894 -0.083258
H 9.016300 2.340020 -0.106789
H -9.014846 -2.340340 -0.129523
H 2.666440 -2.161675 -0.039829
H -2.667118 2.163643 -0.028453
H 2.190462 0.913334 -0.026894
H -2.190411 -0.911272 -0.034759
H 0.229598 -1.537904 -0.035622
H -0.229840 1.540200 -0.025720
H 12.166402 0.871625 0.442456
H 10.742482 1.737551 0.953480
H -12.166961 -0.876436 0.422169
H -10.743960 -1.746848 0.927873
H 11.840839 -1.356869 -0.407874
H -11.840613 1.358530 -0.409430


